USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 ASN : amide:sc= 0.708 K(o=0.67,f=-1.7) USER MOD Set 1.2: A 102 MET CE :methyl 173:sc= -0.0351 (180deg=-0.14) USER MOD Set 2.1: A 93 ASN : amide:sc= -0.553 K(o=-1.1,f=-10!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= -0.546 USER MOD Set 3.1: A 51 THR OG1 : rot -121:sc= 0.331 USER MOD Set 3.2: A 55 SER OG : rot -143:sc= 0.819 USER MOD Set 4.1: A 19 ASN : amide:sc= 0.461 X(o=0.4,f=-0.089) USER MOD Set 4.2: A 28 THR OG1 : rot -140:sc= -0.0643 USER MOD Set 4.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 44:sc= 0.799 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 131:sc= -0.168 USER MOD Single : A 32 THR OG1 : rot 59:sc= 0.518 USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0948 (180deg=-0.419) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 1.61 F(o=-5.9!,f=1.6) USER MOD Single : A 43 SER OG : rot 170:sc= 0 USER MOD Single : A 44 THR OG1 : rot -22:sc= 1.28 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.15) USER MOD Single : A 49 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 176:sc= -1.51 (180deg=-1.62) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0115 K(o=-0.011,f=-1.2) USER MOD Single : A 78 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 175:sc= 0 (180deg=-0.0343) USER MOD Single : A 90 SER OG : rot 51:sc= 0.238 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl 169:sc= -1.56 (180deg=-1.67) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 73:sc= 0.0102 USER MOD Single : A 105 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.11) USER MOD Single : A 106 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.16) USER MOD Single : A 109 SER OG : rot -36:sc= 0.0244 USER MOD Single : A 111 TYR OH : rot -30:sc= 0.076 USER MOD Single : A 112 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00267) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.109 -2.739 -0.021 1.00 25.00 N ATOM 47 CA SER A 4 15.994 -2.556 1.425 1.00 25.00 C ATOM 48 C SER A 4 16.446 -1.167 1.860 1.00 25.00 C ATOM 49 O SER A 4 17.450 -0.641 1.368 1.00 25.00 O ATOM 50 CB SER A 4 16.792 -3.633 2.172 1.00 25.00 C ATOM 51 OG SER A 4 16.695 -3.472 3.578 1.00 25.00 O ATOM 0 HA SER A 4 14.939 -2.655 1.680 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.424 -4.620 1.892 1.00 25.00 H new ATOM 0 HB3 SER A 4 17.839 -3.586 1.871 1.00 25.00 H new ATOM 0 HG SER A 4 15.764 -3.286 3.823 1.00 25.00 H new ATOM 57 N GLY A 5 15.682 -0.591 2.789 1.00 25.00 N ATOM 58 CA GLY A 5 15.995 0.717 3.335 1.00 25.00 C ATOM 59 C GLY A 5 15.535 0.851 4.771 1.00 25.00 C ATOM 60 O GLY A 5 16.051 0.168 5.659 1.00 25.00 O ATOM 0 H GLY A 5 14.840 -1.017 3.176 1.00 25.00 H new ATOM 0 HA2 GLY A 5 17.070 0.886 3.280 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.520 1.488 2.728 1.00 25.00 H new ATOM 64 N ALA A 6 14.565 1.747 4.995 1.00 25.00 N ATOM 65 CA ALA A 6 13.946 1.929 6.312 1.00 25.00 C ATOM 66 C ALA A 6 12.489 2.363 6.164 1.00 25.00 C ATOM 67 O ALA A 6 12.191 3.302 5.418 1.00 25.00 O ATOM 68 CB ALA A 6 14.714 2.951 7.138 1.00 25.00 C ATOM 0 H ALA A 6 14.190 2.362 4.273 1.00 25.00 H new ATOM 0 HA ALA A 6 13.977 0.972 6.833 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.235 3.068 8.110 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.740 2.609 7.278 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.719 3.909 6.618 1.00 25.00 H new ATOM 74 N ALA A 7 11.581 1.673 6.872 1.00 25.00 N ATOM 75 CA ALA A 7 10.144 1.961 6.781 1.00 25.00 C ATOM 76 C ALA A 7 9.422 1.733 8.112 1.00 25.00 C ATOM 77 O ALA A 7 9.866 0.942 8.947 1.00 25.00 O ATOM 78 CB ALA A 7 9.506 1.109 5.693 1.00 25.00 C ATOM 0 H ALA A 7 11.817 0.914 7.512 1.00 25.00 H new ATOM 0 HA ALA A 7 10.041 3.016 6.529 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.440 1.331 5.635 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.976 1.331 4.735 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.644 0.054 5.929 1.00 25.00 H new ATOM 84 N ILE A 8 8.299 2.441 8.288 1.00 25.00 N ATOM 85 CA ILE A 8 7.430 2.290 9.462 1.00 25.00 C ATOM 86 C ILE A 8 6.088 1.682 9.019 1.00 25.00 C ATOM 87 O ILE A 8 5.533 2.070 7.989 1.00 25.00 O ATOM 88 CB ILE A 8 7.198 3.662 10.184 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.527 4.214 10.742 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.159 3.538 11.312 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.461 5.643 11.250 1.00 25.00 C ATOM 0 H ILE A 8 7.967 3.136 7.619 1.00 25.00 H new ATOM 0 HA ILE A 8 7.918 1.626 10.176 1.00 25.00 H new ATOM 0 HB ILE A 8 6.808 4.361 9.444 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.859 3.569 11.556 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.285 4.156 9.961 1.00 25.00 H new ATOM 0 HG21 ILE A 8 6.024 4.508 11.790 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.209 3.203 10.896 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.507 2.815 12.050 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.441 5.943 11.622 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.164 6.305 10.437 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.731 5.709 12.057 1.00 25.00 H new ATOM 103 N PHE A 9 5.583 0.729 9.809 1.00 25.00 N ATOM 104 CA PHE A 9 4.323 0.043 9.507 1.00 25.00 C ATOM 105 C PHE A 9 3.538 -0.185 10.794 1.00 25.00 C ATOM 106 O PHE A 9 3.993 -0.893 11.689 1.00 25.00 O ATOM 107 CB PHE A 9 4.600 -1.289 8.778 1.00 25.00 C ATOM 108 CG PHE A 9 3.370 -2.044 8.326 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.688 -1.664 7.180 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.895 -3.125 9.053 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.562 -2.349 6.767 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.772 -3.814 8.645 1.00 25.00 C ATOM 113 CZ PHE A 9 1.110 -3.434 7.491 1.00 25.00 C ATOM 0 H PHE A 9 6.032 0.414 10.669 1.00 25.00 H new ATOM 0 HA PHE A 9 3.723 0.667 8.845 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.222 -1.085 7.907 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.179 -1.933 9.440 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.042 -0.822 6.603 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.411 -3.432 9.951 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.035 -2.036 5.878 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.410 -4.649 9.226 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.243 -3.984 7.158 1.00 25.00 H new ATOM 123 N GLU A 10 2.344 0.427 10.866 1.00 25.00 N ATOM 124 CA GLU A 10 1.452 0.365 12.052 1.00 25.00 C ATOM 125 C GLU A 10 2.092 1.021 13.292 1.00 25.00 C ATOM 126 O GLU A 10 1.993 0.518 14.418 1.00 25.00 O ATOM 127 CB GLU A 10 1.012 -1.082 12.355 1.00 25.00 C ATOM 128 CG GLU A 10 0.204 -1.718 11.236 1.00 25.00 C ATOM 129 CD GLU A 10 -0.245 -3.128 11.562 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.189 -3.664 12.604 1.00 25.00 O ATOM 131 OE2 GLU A 10 -1.031 -3.700 10.776 1.00 25.00 O ATOM 0 H GLU A 10 1.962 0.984 10.102 1.00 25.00 H new ATOM 0 HA GLU A 10 0.560 0.940 11.805 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.897 -1.690 12.544 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.419 -1.089 13.270 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.671 -1.102 11.031 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.803 -1.734 10.326 1.00 25.00 H new ATOM 138 N LYS A 11 2.756 2.168 13.048 1.00 25.00 N ATOM 139 CA LYS A 11 3.384 3.025 14.095 1.00 25.00 C ATOM 140 C LYS A 11 4.636 2.398 14.736 1.00 25.00 C ATOM 141 O LYS A 11 5.334 3.064 15.508 1.00 25.00 O ATOM 142 CB LYS A 11 2.380 3.444 15.190 1.00 25.00 C ATOM 143 CG LYS A 11 1.244 4.328 14.672 1.00 25.00 C ATOM 144 CD LYS A 11 0.337 4.835 15.791 1.00 25.00 C ATOM 145 CE LYS A 11 -0.542 3.735 16.384 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.751 3.465 15.553 1.00 25.00 N ATOM 0 H LYS A 11 2.878 2.538 12.105 1.00 25.00 H new ATOM 0 HA LYS A 11 3.709 3.918 13.562 1.00 25.00 H new ATOM 0 HB2 LYS A 11 1.955 2.549 15.643 1.00 25.00 H new ATOM 0 HB3 LYS A 11 2.914 3.977 15.977 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.666 5.179 14.138 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.648 3.764 13.954 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.950 5.269 16.581 1.00 25.00 H new ATOM 0 HD3 LYS A 11 -0.298 5.633 15.405 1.00 25.00 H new ATOM 0 HE2 LYS A 11 0.042 2.819 16.480 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -0.852 4.023 17.389 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.315 2.712 15.996 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -2.324 4.330 15.482 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -1.458 3.164 14.601 1.00 25.00 H new ATOM 160 N VAL A 12 4.921 1.131 14.410 1.00 25.00 N ATOM 161 CA VAL A 12 6.157 0.475 14.841 1.00 25.00 C ATOM 162 C VAL A 12 7.223 0.649 13.747 1.00 25.00 C ATOM 163 O VAL A 12 7.015 0.245 12.599 1.00 25.00 O ATOM 164 CB VAL A 12 5.919 -1.039 15.211 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.217 -1.753 15.561 1.00 25.00 C ATOM 166 CG2 VAL A 12 4.894 -1.211 16.335 1.00 25.00 C ATOM 0 H VAL A 12 4.309 0.540 13.847 1.00 25.00 H new ATOM 0 HA VAL A 12 6.515 0.948 15.755 1.00 25.00 H new ATOM 0 HB VAL A 12 5.509 -1.504 14.315 1.00 25.00 H new ATOM 0 HG11 VAL A 12 7.005 -2.793 15.809 1.00 25.00 H new ATOM 0 HG12 VAL A 12 7.895 -1.714 14.708 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.682 -1.264 16.417 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.766 -2.272 16.552 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.246 -0.697 17.230 1.00 25.00 H new ATOM 0 HG23 VAL A 12 3.939 -0.787 16.025 1.00 25.00 H new ATOM 176 N SER A 13 8.348 1.271 14.117 1.00 25.00 N ATOM 177 CA SER A 13 9.408 1.582 13.157 1.00 25.00 C ATOM 178 C SER A 13 10.298 0.374 12.907 1.00 25.00 C ATOM 179 O SER A 13 10.685 -0.334 13.842 1.00 25.00 O ATOM 180 CB SER A 13 10.247 2.773 13.630 1.00 25.00 C ATOM 181 OG SER A 13 11.273 3.078 12.701 1.00 25.00 O ATOM 0 H SER A 13 8.546 1.568 15.073 1.00 25.00 H new ATOM 0 HA SER A 13 8.928 1.851 12.216 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.605 3.643 13.765 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.687 2.548 14.601 1.00 25.00 H new ATOM 0 HG SER A 13 11.792 3.843 13.026 1.00 25.00 H new ATOM 187 N GLY A 14 10.604 0.153 11.629 1.00 25.00 N ATOM 188 CA GLY A 14 11.389 -0.998 11.234 1.00 25.00 C ATOM 189 C GLY A 14 12.169 -0.772 9.959 1.00 25.00 C ATOM 190 O GLY A 14 12.450 0.370 9.582 1.00 25.00 O ATOM 0 H GLY A 14 10.318 0.757 10.859 1.00 25.00 H new ATOM 0 HA2 GLY A 14 12.081 -1.251 12.037 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.727 -1.854 11.102 1.00 25.00 H new ATOM 194 N ILE A 15 12.516 -1.877 9.304 1.00 25.00 N ATOM 195 CA ILE A 15 13.279 -1.852 8.057 1.00 25.00 C ATOM 196 C ILE A 15 12.534 -2.652 6.972 1.00 25.00 C ATOM 197 O ILE A 15 11.991 -3.725 7.247 1.00 25.00 O ATOM 198 CB ILE A 15 14.732 -2.410 8.297 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.577 -1.472 9.211 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.489 -2.714 6.993 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.876 -2.049 9.773 1.00 25.00 C ATOM 0 H ILE A 15 12.276 -2.816 9.622 1.00 25.00 H new ATOM 0 HA ILE A 15 13.375 -0.823 7.710 1.00 25.00 H new ATOM 0 HB ILE A 15 14.592 -3.359 8.815 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.821 -0.574 8.644 1.00 25.00 H new ATOM 0 HG13 ILE A 15 14.953 -1.160 10.048 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.483 -3.095 7.229 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.941 -3.462 6.420 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.581 -1.801 6.404 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.370 -1.299 10.391 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.652 -2.928 10.378 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.534 -2.332 8.951 1.00 25.00 H new ATOM 213 N ILE A 16 12.525 -2.113 5.744 1.00 25.00 N ATOM 214 CA ILE A 16 11.838 -2.745 4.613 1.00 25.00 C ATOM 215 C ILE A 16 12.848 -3.486 3.718 1.00 25.00 C ATOM 216 O ILE A 16 13.925 -2.963 3.428 1.00 25.00 O ATOM 217 CB ILE A 16 10.984 -1.676 3.830 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.482 -2.040 3.918 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.428 -1.464 2.362 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.562 -1.210 3.022 1.00 25.00 C ATOM 0 H ILE A 16 12.989 -1.235 5.510 1.00 25.00 H new ATOM 0 HA ILE A 16 11.140 -3.497 4.981 1.00 25.00 H new ATOM 0 HB ILE A 16 11.159 -0.717 4.318 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.363 -3.092 3.660 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.156 -1.927 4.952 1.00 25.00 H new ATOM 0 HG21 ILE A 16 10.791 -0.714 1.894 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.464 -1.125 2.340 1.00 25.00 H new ATOM 0 HG23 ILE A 16 11.343 -2.404 1.817 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.531 -1.539 3.154 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.644 -0.157 3.292 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.854 -1.341 1.980 1.00 25.00 H new ATOM 232 N ALA A 17 12.489 -4.707 3.315 1.00 25.00 N ATOM 233 CA ALA A 17 13.324 -5.519 2.422 1.00 25.00 C ATOM 234 C ALA A 17 12.477 -6.200 1.351 1.00 25.00 C ATOM 235 O ALA A 17 11.369 -6.655 1.634 1.00 25.00 O ATOM 236 CB ALA A 17 14.107 -6.558 3.219 1.00 25.00 C ATOM 0 H ALA A 17 11.619 -5.159 3.595 1.00 25.00 H new ATOM 0 HA ALA A 17 14.031 -4.854 1.925 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.720 -7.151 2.540 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.749 -6.054 3.942 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.412 -7.212 3.745 1.00 25.00 H new ATOM 242 N ILE A 18 13.004 -6.268 0.121 1.00 25.00 N ATOM 243 CA ILE A 18 12.301 -6.930 -0.986 1.00 25.00 C ATOM 244 C ILE A 18 12.849 -8.349 -1.204 1.00 25.00 C ATOM 245 O ILE A 18 14.061 -8.560 -1.311 1.00 25.00 O ATOM 246 CB ILE A 18 12.365 -6.098 -2.311 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.591 -4.775 -2.140 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.813 -6.890 -3.502 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.741 -3.795 -3.289 1.00 25.00 C ATOM 0 H ILE A 18 13.911 -5.875 -0.132 1.00 25.00 H new ATOM 0 HA ILE A 18 11.250 -7.000 -0.705 1.00 25.00 H new ATOM 0 HB ILE A 18 13.412 -5.878 -2.520 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.533 -5.004 -2.012 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.926 -4.291 -1.222 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.874 -6.281 -4.404 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.400 -7.799 -3.638 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.773 -7.155 -3.312 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.162 -2.896 -3.078 1.00 25.00 H new ATOM 0 HD12 ILE A 18 12.792 -3.530 -3.407 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.377 -4.254 -4.208 1.00 25.00 H new ATOM 261 N ASN A 19 11.916 -9.301 -1.262 1.00 25.00 N ATOM 262 CA ASN A 19 12.212 -10.708 -1.515 1.00 25.00 C ATOM 263 C ASN A 19 12.025 -11.063 -3.001 1.00 25.00 C ATOM 264 O ASN A 19 10.896 -11.160 -3.492 1.00 25.00 O ATOM 265 CB ASN A 19 11.295 -11.581 -0.639 1.00 25.00 C ATOM 266 CG ASN A 19 11.732 -11.637 0.818 1.00 25.00 C ATOM 267 OD1 ASN A 19 12.823 -11.191 1.177 1.00 25.00 O ATOM 268 ND2 ASN A 19 10.874 -12.190 1.666 1.00 25.00 N ATOM 0 H ASN A 19 10.922 -9.112 -1.133 1.00 25.00 H new ATOM 0 HA ASN A 19 13.255 -10.896 -1.262 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.277 -11.194 -0.692 1.00 25.00 H new ATOM 0 HB3 ASN A 19 11.273 -12.593 -1.044 1.00 25.00 H new ATOM 0 HD21 ASN A 19 11.108 -12.258 2.657 1.00 25.00 H new ATOM 0 HD22 ASN A 19 9.981 -12.547 1.327 1.00 25.00 H new ATOM 275 N GLU A 20 13.151 -11.235 -3.706 1.00 25.00 N ATOM 276 CA GLU A 20 13.157 -11.713 -5.094 1.00 25.00 C ATOM 277 C GLU A 20 13.985 -13.003 -5.177 1.00 25.00 C ATOM 278 O GLU A 20 14.679 -13.350 -4.217 1.00 25.00 O ATOM 279 CB GLU A 20 13.714 -10.653 -6.068 1.00 25.00 C ATOM 280 CG GLU A 20 12.849 -9.410 -6.256 1.00 25.00 C ATOM 281 CD GLU A 20 13.075 -8.746 -7.599 1.00 25.00 C ATOM 282 OE1 GLU A 20 12.897 -9.418 -8.634 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.432 -7.549 -7.617 1.00 25.00 O ATOM 0 H GLU A 20 14.081 -11.047 -3.331 1.00 25.00 H new ATOM 0 HA GLU A 20 12.128 -11.911 -5.393 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.696 -10.340 -5.713 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.861 -11.122 -7.041 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.798 -9.684 -6.162 1.00 25.00 H new ATOM 0 HG3 GLU A 20 13.065 -8.697 -5.460 1.00 25.00 H new ATOM 290 N ASP A 21 13.903 -13.721 -6.327 1.00 25.00 N ATOM 291 CA ASP A 21 14.520 -15.069 -6.509 1.00 25.00 C ATOM 292 C ASP A 21 13.773 -16.149 -5.708 1.00 25.00 C ATOM 293 O ASP A 21 14.159 -17.323 -5.683 1.00 25.00 O ATOM 294 CB ASP A 21 16.007 -15.080 -6.143 1.00 25.00 C ATOM 295 CG ASP A 21 16.840 -14.173 -7.027 1.00 25.00 C ATOM 296 OD1 ASP A 21 16.644 -14.203 -8.261 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.688 -13.432 -6.487 1.00 25.00 O ATOM 0 H ASP A 21 13.409 -13.386 -7.154 1.00 25.00 H new ATOM 0 HA ASP A 21 14.433 -15.302 -7.570 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.122 -14.772 -5.104 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.386 -16.099 -6.217 1.00 25.00 H new ATOM 302 N VAL A 22 12.692 -15.710 -5.077 1.00 25.00 N ATOM 303 CA VAL A 22 11.776 -16.555 -4.308 1.00 25.00 C ATOM 304 C VAL A 22 10.514 -16.855 -5.132 1.00 25.00 C ATOM 305 O VAL A 22 10.453 -16.520 -6.321 1.00 25.00 O ATOM 306 CB VAL A 22 11.391 -15.897 -2.935 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.602 -15.830 -2.018 1.00 25.00 C ATOM 308 CG2 VAL A 22 10.777 -14.493 -3.098 1.00 25.00 C ATOM 0 H VAL A 22 12.417 -14.728 -5.084 1.00 25.00 H new ATOM 0 HA VAL A 22 12.291 -17.490 -4.089 1.00 25.00 H new ATOM 0 HB VAL A 22 10.628 -16.533 -2.488 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.317 -15.371 -1.071 1.00 25.00 H new ATOM 0 HG12 VAL A 22 12.976 -16.837 -1.835 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.383 -15.233 -2.489 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.531 -14.087 -2.117 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.494 -13.837 -3.592 1.00 25.00 H new ATOM 0 HG23 VAL A 22 9.871 -14.560 -3.701 1.00 25.00 H new ATOM 318 N SER A 23 9.515 -17.490 -4.501 1.00 25.00 N ATOM 319 CA SER A 23 8.197 -17.668 -5.127 1.00 25.00 C ATOM 320 C SER A 23 7.535 -16.278 -5.081 1.00 25.00 C ATOM 321 O SER A 23 7.943 -15.476 -4.235 1.00 25.00 O ATOM 322 CB SER A 23 7.397 -18.714 -4.344 1.00 25.00 C ATOM 323 OG SER A 23 7.089 -18.269 -3.034 1.00 25.00 O ATOM 0 H SER A 23 9.594 -17.886 -3.564 1.00 25.00 H new ATOM 0 HA SER A 23 8.256 -18.030 -6.154 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.474 -18.940 -4.878 1.00 25.00 H new ATOM 0 HB3 SER A 23 7.968 -19.641 -4.288 1.00 25.00 H new ATOM 0 HG SER A 23 6.577 -18.961 -2.565 1.00 25.00 H new ATOM 329 N PRO A 24 6.492 -15.936 -5.908 1.00 25.00 N ATOM 330 CA PRO A 24 6.425 -14.592 -6.531 1.00 25.00 C ATOM 331 C PRO A 24 6.835 -13.451 -5.597 1.00 25.00 C ATOM 332 O PRO A 24 6.365 -13.347 -4.460 1.00 25.00 O ATOM 333 CB PRO A 24 4.945 -14.468 -6.888 1.00 25.00 C ATOM 334 CG PRO A 24 4.505 -15.862 -7.158 1.00 25.00 C ATOM 335 CD PRO A 24 5.295 -16.744 -6.240 1.00 25.00 C ATOM 0 HA PRO A 24 7.116 -14.508 -7.370 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.376 -14.024 -6.071 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.800 -13.831 -7.760 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.436 -15.973 -6.977 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.682 -16.129 -8.200 1.00 25.00 H new ATOM 0 HD2 PRO A 24 4.726 -17.001 -5.346 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.568 -17.681 -6.724 1.00 25.00 H new ATOM 343 N ALA A 25 7.740 -12.605 -6.134 1.00 25.00 N ATOM 344 CA ALA A 25 8.475 -11.588 -5.369 1.00 25.00 C ATOM 345 C ALA A 25 7.594 -10.767 -4.460 1.00 25.00 C ATOM 346 O ALA A 25 6.483 -10.369 -4.819 1.00 25.00 O ATOM 347 CB ALA A 25 9.266 -10.687 -6.303 1.00 25.00 C ATOM 0 H ALA A 25 7.980 -12.613 -7.125 1.00 25.00 H new ATOM 0 HA ALA A 25 9.162 -12.130 -4.720 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.804 -9.940 -5.719 1.00 25.00 H new ATOM 0 HB2 ALA A 25 9.978 -11.286 -6.870 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.584 -10.187 -6.991 1.00 25.00 H new ATOM 353 N GLU A 26 8.132 -10.540 -3.272 1.00 25.00 N ATOM 354 CA GLU A 26 7.390 -9.974 -2.169 1.00 25.00 C ATOM 355 C GLU A 26 8.097 -8.732 -1.618 1.00 25.00 C ATOM 356 O GLU A 26 9.188 -8.383 -2.064 1.00 25.00 O ATOM 357 CB GLU A 26 7.210 -11.024 -1.046 1.00 25.00 C ATOM 358 CG GLU A 26 7.767 -12.421 -1.338 1.00 25.00 C ATOM 359 CD GLU A 26 7.552 -13.391 -0.192 1.00 25.00 C ATOM 360 OE1 GLU A 26 8.523 -13.665 0.543 1.00 25.00 O ATOM 361 OE2 GLU A 26 6.412 -13.874 -0.028 1.00 25.00 O ATOM 0 H GLU A 26 9.106 -10.747 -3.050 1.00 25.00 H new ATOM 0 HA GLU A 26 6.408 -9.678 -2.537 1.00 25.00 H new ATOM 0 HB2 GLU A 26 7.687 -10.646 -0.142 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.146 -11.117 -0.830 1.00 25.00 H new ATOM 0 HG2 GLU A 26 7.292 -12.816 -2.236 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.834 -12.345 -1.548 1.00 25.00 H new ATOM 368 N LEU A 27 7.414 -8.023 -0.718 1.00 25.00 N ATOM 369 CA LEU A 27 8.028 -6.976 0.094 1.00 25.00 C ATOM 370 C LEU A 27 7.850 -7.332 1.568 1.00 25.00 C ATOM 371 O LEU A 27 6.723 -7.484 2.046 1.00 25.00 O ATOM 372 CB LEU A 27 7.421 -5.590 -0.215 1.00 25.00 C ATOM 373 CG LEU A 27 7.959 -4.425 0.636 1.00 25.00 C ATOM 374 CD1 LEU A 27 9.425 -4.155 0.347 1.00 25.00 C ATOM 375 CD2 LEU A 27 7.129 -3.181 0.384 1.00 25.00 C ATOM 0 H LEU A 27 6.420 -8.160 -0.533 1.00 25.00 H new ATOM 0 HA LEU A 27 9.090 -6.916 -0.145 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.598 -5.361 -1.266 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.341 -5.647 -0.079 1.00 25.00 H new ATOM 0 HG LEU A 27 7.880 -4.704 1.687 1.00 25.00 H new ATOM 0 HD11 LEU A 27 9.771 -3.327 0.965 1.00 25.00 H new ATOM 0 HD12 LEU A 27 10.011 -5.046 0.573 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.547 -3.898 -0.705 1.00 25.00 H new ATOM 0 HD21 LEU A 27 7.513 -2.359 0.988 1.00 25.00 H new ATOM 0 HD22 LEU A 27 7.186 -2.913 -0.671 1.00 25.00 H new ATOM 0 HD23 LEU A 27 6.091 -3.375 0.654 1.00 25.00 H new ATOM 387 N THR A 28 8.966 -7.455 2.278 1.00 25.00 N ATOM 388 CA THR A 28 8.945 -7.890 3.667 1.00 25.00 C ATOM 389 C THR A 28 9.414 -6.770 4.593 1.00 25.00 C ATOM 390 O THR A 28 10.601 -6.425 4.622 1.00 25.00 O ATOM 391 CB THR A 28 9.817 -9.159 3.875 1.00 25.00 C ATOM 392 OG1 THR A 28 9.314 -10.234 3.071 1.00 25.00 O ATOM 393 CG2 THR A 28 9.826 -9.607 5.338 1.00 25.00 C ATOM 0 H THR A 28 9.898 -7.259 1.912 1.00 25.00 H new ATOM 0 HA THR A 28 7.914 -8.142 3.917 1.00 25.00 H new ATOM 0 HB THR A 28 10.835 -8.905 3.581 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.360 -11.071 3.578 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.447 -10.497 5.442 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.229 -8.808 5.961 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.808 -9.835 5.655 1.00 25.00 H new ATOM 401 N TRP A 29 8.460 -6.199 5.337 1.00 25.00 N ATOM 402 CA TRP A 29 8.771 -5.256 6.406 1.00 25.00 C ATOM 403 C TRP A 29 9.091 -6.030 7.681 1.00 25.00 C ATOM 404 O TRP A 29 8.405 -6.995 8.025 1.00 25.00 O ATOM 405 CB TRP A 29 7.599 -4.276 6.655 1.00 25.00 C ATOM 406 CG TRP A 29 7.782 -3.387 7.872 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.347 -2.146 7.899 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.421 -3.690 9.237 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.365 -1.658 9.186 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.800 -2.584 10.023 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.815 -4.783 9.872 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.597 -2.541 11.400 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.613 -4.735 11.241 1.00 25.00 C ATOM 414 CH2 TRP A 29 7.005 -3.620 11.989 1.00 25.00 C ATOM 0 H TRP A 29 7.463 -6.378 5.214 1.00 25.00 H new ATOM 0 HA TRP A 29 9.636 -4.664 6.106 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.473 -3.646 5.774 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.679 -4.849 6.772 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.726 -1.621 7.034 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.739 -0.753 9.471 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.511 -5.649 9.303 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 7.898 -1.683 11.982 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.145 -5.572 11.739 1.00 25.00 H new ATOM 0 HH2 TRP A 29 6.835 -3.613 13.056 1.00 25.00 H new ATOM 425 N ARG A 30 10.141 -5.596 8.360 1.00 25.00 N ATOM 426 CA ARG A 30 10.500 -6.141 9.659 1.00 25.00 C ATOM 427 C ARG A 30 10.641 -5.018 10.673 1.00 25.00 C ATOM 428 O ARG A 30 10.716 -3.843 10.298 1.00 25.00 O ATOM 429 CB ARG A 30 11.802 -6.934 9.581 1.00 25.00 C ATOM 430 CG ARG A 30 11.776 -8.096 8.603 1.00 25.00 C ATOM 431 CD ARG A 30 13.085 -8.868 8.628 1.00 25.00 C ATOM 432 NE ARG A 30 13.346 -9.532 9.916 1.00 25.00 N ATOM 433 CZ ARG A 30 12.944 -10.776 10.228 1.00 25.00 C ATOM 434 NH1 ARG A 30 12.273 -11.525 9.353 1.00 25.00 N ATOM 435 NH2 ARG A 30 13.216 -11.272 11.427 1.00 25.00 N ATOM 0 H ARG A 30 10.765 -4.860 8.028 1.00 25.00 H new ATOM 0 HA ARG A 30 9.705 -6.817 9.974 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.608 -6.257 9.299 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.039 -7.317 10.574 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.952 -8.765 8.851 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.591 -7.722 7.596 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.072 -9.618 7.837 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.905 -8.185 8.406 1.00 25.00 H new ATOM 0 HE ARG A 30 13.868 -9.012 10.621 1.00 25.00 H new ATOM 0 HH11 ARG A 30 12.056 -11.156 8.427 1.00 25.00 H new ATOM 0 HH12 ARG A 30 11.977 -12.467 9.609 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.728 -10.710 12.107 1.00 25.00 H new ATOM 0 HH22 ARG A 30 12.913 -12.215 11.669 1.00 25.00 H new ATOM 449 N SER A 31 10.676 -5.379 11.961 1.00 25.00 N ATOM 450 CA SER A 31 10.912 -4.407 13.028 1.00 25.00 C ATOM 451 C SER A 31 12.395 -3.997 13.022 1.00 25.00 C ATOM 452 O SER A 31 13.200 -4.661 12.360 1.00 25.00 O ATOM 453 CB SER A 31 10.483 -4.994 14.387 1.00 25.00 C ATOM 454 OG SER A 31 11.307 -6.065 14.805 1.00 25.00 O ATOM 0 H SER A 31 10.544 -6.337 12.287 1.00 25.00 H new ATOM 0 HA SER A 31 10.311 -3.514 12.858 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.506 -4.207 15.141 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.452 -5.340 14.319 1.00 25.00 H new ATOM 0 HG SER A 31 11.586 -5.920 15.733 1.00 25.00 H new ATOM 460 N THR A 32 12.764 -2.923 13.732 1.00 25.00 N ATOM 461 CA THR A 32 14.172 -2.454 13.751 1.00 25.00 C ATOM 462 C THR A 32 15.166 -3.565 14.149 1.00 25.00 C ATOM 463 O THR A 32 16.315 -3.570 13.693 1.00 25.00 O ATOM 464 CB THR A 32 14.367 -1.222 14.661 1.00 25.00 C ATOM 465 OG1 THR A 32 13.626 -0.102 14.157 1.00 25.00 O ATOM 466 CG2 THR A 32 15.847 -0.865 14.775 1.00 25.00 C ATOM 0 H THR A 32 12.124 -2.364 14.296 1.00 25.00 H new ATOM 0 HA THR A 32 14.391 -2.161 12.724 1.00 25.00 H new ATOM 0 HB THR A 32 13.993 -1.471 15.654 1.00 25.00 H new ATOM 0 HG1 THR A 32 12.675 -0.334 14.110 1.00 25.00 H new ATOM 0 HG21 THR A 32 15.963 0.006 15.420 1.00 25.00 H new ATOM 0 HG22 THR A 32 16.393 -1.707 15.201 1.00 25.00 H new ATOM 0 HG23 THR A 32 16.244 -0.638 13.785 1.00 25.00 H new ATOM 474 N ASP A 33 14.700 -4.511 14.978 1.00 25.00 N ATOM 475 CA ASP A 33 15.453 -5.738 15.275 1.00 25.00 C ATOM 476 C ASP A 33 14.923 -6.917 14.433 1.00 25.00 C ATOM 477 O ASP A 33 15.679 -7.823 14.071 1.00 25.00 O ATOM 478 CB ASP A 33 15.405 -6.064 16.784 1.00 25.00 C ATOM 479 CG ASP A 33 16.072 -5.012 17.664 1.00 25.00 C ATOM 480 OD1 ASP A 33 17.245 -4.673 17.398 1.00 25.00 O ATOM 481 OD2 ASP A 33 15.420 -4.534 18.615 1.00 25.00 O ATOM 0 H ASP A 33 13.801 -4.449 15.456 1.00 25.00 H new ATOM 0 HA ASP A 33 16.496 -5.573 15.006 1.00 25.00 H new ATOM 0 HB2 ASP A 33 14.364 -6.173 17.090 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.889 -7.026 16.954 1.00 25.00 H new ATOM 486 N GLY A 34 13.615 -6.876 14.138 1.00 25.00 N ATOM 487 CA GLY A 34 12.973 -7.854 13.260 1.00 25.00 C ATOM 488 C GLY A 34 12.106 -8.870 13.987 1.00 25.00 C ATOM 489 O GLY A 34 11.804 -9.930 13.432 1.00 25.00 O ATOM 0 H GLY A 34 12.979 -6.166 14.501 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.359 -7.324 12.532 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.744 -8.385 12.701 1.00 25.00 H new ATOM 493 N ASP A 35 11.707 -8.550 15.230 1.00 25.00 N ATOM 494 CA ASP A 35 10.784 -9.395 16.005 1.00 25.00 C ATOM 495 C ASP A 35 9.375 -9.390 15.375 1.00 25.00 C ATOM 496 O ASP A 35 8.639 -10.376 15.478 1.00 25.00 O ATOM 497 CB ASP A 35 10.727 -8.912 17.464 1.00 25.00 C ATOM 498 CG ASP A 35 10.319 -7.451 17.600 1.00 25.00 C ATOM 499 OD1 ASP A 35 11.124 -6.573 17.225 1.00 25.00 O ATOM 500 OD2 ASP A 35 9.195 -7.191 18.079 1.00 25.00 O ATOM 0 H ASP A 35 12.011 -7.709 15.720 1.00 25.00 H new ATOM 0 HA ASP A 35 11.155 -10.420 15.989 1.00 25.00 H new ATOM 0 HB2 ASP A 35 10.022 -9.532 18.017 1.00 25.00 H new ATOM 0 HB3 ASP A 35 11.705 -9.053 17.925 1.00 25.00 H new ATOM 505 N LYS A 36 9.021 -8.268 14.730 1.00 25.00 N ATOM 506 CA LYS A 36 7.773 -8.153 13.972 1.00 25.00 C ATOM 507 C LYS A 36 8.081 -8.184 12.477 1.00 25.00 C ATOM 508 O LYS A 36 9.102 -7.644 12.038 1.00 25.00 O ATOM 509 CB LYS A 36 7.044 -6.854 14.335 1.00 25.00 C ATOM 510 CG LYS A 36 6.560 -6.783 15.776 1.00 25.00 C ATOM 511 CD LYS A 36 5.776 -5.517 16.012 1.00 25.00 C ATOM 512 CE LYS A 36 5.411 -5.344 17.474 1.00 25.00 C ATOM 513 NZ LYS A 36 6.610 -5.314 18.363 1.00 25.00 N ATOM 0 H LYS A 36 9.590 -7.422 14.721 1.00 25.00 H new ATOM 0 HA LYS A 36 7.125 -8.992 14.224 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.712 -6.013 14.148 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.188 -6.735 13.671 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.937 -7.649 15.999 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.413 -6.820 16.454 1.00 25.00 H new ATOM 0 HD2 LYS A 36 6.362 -4.660 15.680 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.867 -5.535 15.410 1.00 25.00 H new ATOM 0 HE2 LYS A 36 4.848 -4.419 17.598 1.00 25.00 H new ATOM 0 HE3 LYS A 36 4.756 -6.159 17.780 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 6.347 -4.914 19.287 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 6.970 -6.281 18.494 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 7.349 -4.726 17.929 1.00 25.00 H new ATOM 527 N VAL A 37 7.201 -8.821 11.701 1.00 25.00 N ATOM 528 CA VAL A 37 7.425 -8.980 10.259 1.00 25.00 C ATOM 529 C VAL A 37 6.092 -9.019 9.470 1.00 25.00 C ATOM 530 O VAL A 37 5.130 -9.672 9.887 1.00 25.00 O ATOM 531 CB VAL A 37 8.323 -10.239 9.970 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.699 -11.548 10.461 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.693 -10.329 8.491 1.00 25.00 C ATOM 0 H VAL A 37 6.332 -9.233 12.042 1.00 25.00 H new ATOM 0 HA VAL A 37 7.966 -8.102 9.905 1.00 25.00 H new ATOM 0 HB VAL A 37 9.237 -10.098 10.546 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.367 -12.378 10.232 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.543 -11.495 11.538 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.742 -11.704 9.963 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.314 -11.209 8.324 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.785 -10.406 7.893 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.245 -9.436 8.199 1.00 25.00 H new ATOM 543 N HIS A 38 6.063 -8.303 8.333 1.00 25.00 N ATOM 544 CA HIS A 38 4.905 -8.278 7.426 1.00 25.00 C ATOM 545 C HIS A 38 5.380 -8.474 5.976 1.00 25.00 C ATOM 546 O HIS A 38 6.473 -8.031 5.617 1.00 25.00 O ATOM 547 CB HIS A 38 4.141 -6.946 7.575 1.00 25.00 C ATOM 548 CG HIS A 38 3.521 -6.728 8.930 1.00 25.00 C ATOM 549 ND1 HIS A 38 4.029 -6.178 10.058 1.00 25.00 N flip ATOM 550 CD2 HIS A 38 2.230 -7.102 9.237 1.00 25.00 C flip ATOM 551 CE1 HIS A 38 3.044 -6.227 11.013 1.00 25.00 C flip ATOM 552 NE2 HIS A 38 1.969 -6.789 10.493 1.00 25.00 N flip ATOM 0 H HIS A 38 6.842 -7.725 8.018 1.00 25.00 H new ATOM 0 HA HIS A 38 4.226 -9.090 7.685 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.826 -6.124 7.367 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.356 -6.906 6.820 1.00 25.00 H new ATOM 0 HD1 HIS A 38 4.968 -5.798 10.176 1.00 25.00 H new ATOM 0 HD2 HIS A 38 1.539 -7.577 8.556 1.00 25.00 H new ATOM 0 HE1 HIS A 38 3.134 -5.864 12.026 1.00 25.00 H new ATOM 561 N THR A 39 4.552 -9.137 5.151 1.00 25.00 N ATOM 562 CA THR A 39 4.934 -9.465 3.770 1.00 25.00 C ATOM 563 C THR A 39 3.853 -9.032 2.755 1.00 25.00 C ATOM 564 O THR A 39 2.652 -9.161 3.009 1.00 25.00 O ATOM 565 CB THR A 39 5.232 -10.988 3.636 1.00 25.00 C ATOM 566 OG1 THR A 39 6.300 -11.349 4.523 1.00 25.00 O ATOM 567 CG2 THR A 39 5.627 -11.382 2.212 1.00 25.00 C ATOM 0 H THR A 39 3.619 -9.454 5.416 1.00 25.00 H new ATOM 0 HA THR A 39 5.840 -8.906 3.538 1.00 25.00 H new ATOM 0 HB THR A 39 4.314 -11.518 3.892 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.485 -12.308 4.439 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.824 -12.453 2.172 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.814 -11.137 1.528 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.524 -10.837 1.919 1.00 25.00 H new ATOM 575 N VAL A 40 4.324 -8.517 1.607 1.00 25.00 N ATOM 576 CA VAL A 40 3.470 -8.111 0.480 1.00 25.00 C ATOM 577 C VAL A 40 3.952 -8.805 -0.810 1.00 25.00 C ATOM 578 O VAL A 40 4.990 -8.439 -1.357 1.00 25.00 O ATOM 579 CB VAL A 40 3.488 -6.548 0.282 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.480 -6.062 -0.761 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.240 -5.809 1.591 1.00 25.00 C ATOM 0 H VAL A 40 5.318 -8.370 1.434 1.00 25.00 H new ATOM 0 HA VAL A 40 2.446 -8.412 0.702 1.00 25.00 H new ATOM 0 HB VAL A 40 4.490 -6.320 -0.082 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.543 -4.977 -0.850 1.00 25.00 H new ATOM 0 HG12 VAL A 40 2.705 -6.519 -1.725 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.473 -6.343 -0.453 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.260 -4.734 1.411 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.266 -6.092 1.990 1.00 25.00 H new ATOM 0 HG23 VAL A 40 4.016 -6.072 2.310 1.00 25.00 H new ATOM 591 N VAL A 41 3.183 -9.784 -1.305 1.00 25.00 N ATOM 592 CA VAL A 41 3.492 -10.443 -2.582 1.00 25.00 C ATOM 593 C VAL A 41 3.003 -9.544 -3.732 1.00 25.00 C ATOM 594 O VAL A 41 1.820 -9.201 -3.790 1.00 25.00 O ATOM 595 CB VAL A 41 2.835 -11.859 -2.679 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.055 -12.496 -4.054 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.391 -12.781 -1.599 1.00 25.00 C ATOM 0 H VAL A 41 2.345 -10.137 -0.843 1.00 25.00 H new ATOM 0 HA VAL A 41 4.570 -10.587 -2.650 1.00 25.00 H new ATOM 0 HB VAL A 41 1.763 -11.726 -2.532 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.583 -13.478 -4.080 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.615 -11.862 -4.823 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.124 -12.602 -4.239 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.923 -13.762 -1.681 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.469 -12.882 -1.726 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.179 -12.359 -0.616 1.00 25.00 H new ATOM 607 N LEU A 42 3.918 -9.165 -4.632 1.00 25.00 N ATOM 608 CA LEU A 42 3.601 -8.171 -5.675 1.00 25.00 C ATOM 609 C LEU A 42 2.781 -8.740 -6.837 1.00 25.00 C ATOM 610 O LEU A 42 2.118 -7.979 -7.550 1.00 25.00 O ATOM 611 CB LEU A 42 4.869 -7.497 -6.256 1.00 25.00 C ATOM 612 CG LEU A 42 5.555 -6.380 -5.428 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.575 -5.291 -5.029 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.247 -6.937 -4.198 1.00 25.00 C ATOM 0 H LEU A 42 4.872 -9.523 -4.663 1.00 25.00 H new ATOM 0 HA LEU A 42 2.995 -7.429 -5.156 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.608 -8.278 -6.436 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.607 -7.077 -7.227 1.00 25.00 H new ATOM 0 HG LEU A 42 6.312 -5.936 -6.074 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.095 -4.528 -4.450 1.00 25.00 H new ATOM 0 HD12 LEU A 42 4.148 -4.840 -5.925 1.00 25.00 H new ATOM 0 HD13 LEU A 42 3.777 -5.723 -4.425 1.00 25.00 H new ATOM 0 HD21 LEU A 42 6.716 -6.123 -3.644 1.00 25.00 H new ATOM 0 HD22 LEU A 42 5.514 -7.434 -3.562 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.009 -7.654 -4.503 1.00 25.00 H new ATOM 626 N SER A 43 2.821 -10.069 -7.033 1.00 25.00 N ATOM 627 CA SER A 43 1.991 -10.731 -8.058 1.00 25.00 C ATOM 628 C SER A 43 0.499 -10.656 -7.678 1.00 25.00 C ATOM 629 O SER A 43 -0.378 -11.079 -8.439 1.00 25.00 O ATOM 630 CB SER A 43 2.442 -12.190 -8.237 1.00 25.00 C ATOM 631 OG SER A 43 2.123 -12.980 -7.101 1.00 25.00 O ATOM 0 H SER A 43 3.415 -10.704 -6.500 1.00 25.00 H new ATOM 0 HA SER A 43 2.120 -10.211 -9.007 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.964 -12.613 -9.121 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.518 -12.220 -8.411 1.00 25.00 H new ATOM 0 HG SER A 43 2.274 -13.926 -7.308 1.00 25.00 H new ATOM 637 N THR A 44 0.246 -10.099 -6.483 1.00 25.00 N ATOM 638 CA THR A 44 -1.105 -9.883 -5.962 1.00 25.00 C ATOM 639 C THR A 44 -1.385 -8.373 -5.816 1.00 25.00 C ATOM 640 O THR A 44 -2.447 -7.966 -5.335 1.00 25.00 O ATOM 641 CB THR A 44 -1.299 -10.581 -4.582 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.526 -9.929 -3.564 1.00 25.00 O ATOM 643 CG2 THR A 44 -0.886 -12.047 -4.636 1.00 25.00 C ATOM 0 H THR A 44 0.981 -9.785 -5.850 1.00 25.00 H new ATOM 0 HA THR A 44 -1.807 -10.319 -6.672 1.00 25.00 H new ATOM 0 HB THR A 44 -2.360 -10.513 -4.342 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.206 -9.428 -3.980 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.034 -12.503 -3.657 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.493 -12.569 -5.375 1.00 25.00 H new ATOM 0 HG23 THR A 44 0.165 -12.119 -4.914 1.00 25.00 H new ATOM 651 N ILE A 45 -0.406 -7.563 -6.241 1.00 25.00 N ATOM 652 CA ILE A 45 -0.479 -6.098 -6.185 1.00 25.00 C ATOM 653 C ILE A 45 -0.631 -5.542 -7.608 1.00 25.00 C ATOM 654 O ILE A 45 0.006 -6.032 -8.543 1.00 25.00 O ATOM 655 CB ILE A 45 0.807 -5.516 -5.497 1.00 25.00 C ATOM 656 CG1 ILE A 45 0.955 -6.041 -4.036 1.00 25.00 C ATOM 657 CG2 ILE A 45 0.860 -3.981 -5.532 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.184 -5.694 -3.070 1.00 25.00 C ATOM 0 H ILE A 45 0.467 -7.911 -6.637 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.344 -5.800 -5.593 1.00 25.00 H new ATOM 0 HB ILE A 45 1.654 -5.875 -6.082 1.00 25.00 H new ATOM 0 HG12 ILE A 45 1.055 -7.126 -4.071 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.885 -5.648 -3.624 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.771 -3.637 -5.042 1.00 25.00 H new ATOM 0 HG22 ILE A 45 0.854 -3.640 -6.567 1.00 25.00 H new ATOM 0 HG23 ILE A 45 -0.007 -3.575 -5.012 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.032 -6.113 -2.087 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.277 -4.611 -2.991 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.119 -6.111 -3.445 1.00 25.00 H new ATOM 670 N ASP A 46 -1.480 -4.518 -7.748 1.00 25.00 N ATOM 671 CA ASP A 46 -1.759 -3.913 -9.051 1.00 25.00 C ATOM 672 C ASP A 46 -1.064 -2.546 -9.200 1.00 25.00 C ATOM 673 O ASP A 46 -0.397 -2.303 -10.210 1.00 25.00 O ATOM 674 CB ASP A 46 -3.286 -3.801 -9.256 1.00 25.00 C ATOM 675 CG ASP A 46 -3.688 -3.293 -10.635 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.406 -3.994 -11.630 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.282 -2.197 -10.715 1.00 25.00 O ATOM 0 H ASP A 46 -1.986 -4.091 -6.972 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.350 -4.557 -9.830 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.737 -4.780 -9.094 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.696 -3.132 -8.499 1.00 25.00 H new ATOM 682 N LYS A 47 -1.224 -1.663 -8.198 1.00 25.00 N ATOM 683 CA LYS A 47 -0.683 -0.325 -8.246 1.00 25.00 C ATOM 684 C LYS A 47 0.060 0.027 -6.938 1.00 25.00 C ATOM 685 O LYS A 47 0.058 -0.754 -5.982 1.00 25.00 O ATOM 686 CB LYS A 47 -1.844 0.634 -8.467 1.00 25.00 C ATOM 687 CG LYS A 47 -2.521 0.471 -9.800 1.00 25.00 C ATOM 688 CD LYS A 47 -3.648 1.474 -10.024 1.00 25.00 C ATOM 689 CE LYS A 47 -4.248 1.361 -11.415 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.212 0.235 -11.538 1.00 25.00 N ATOM 0 H LYS A 47 -1.734 -1.873 -7.340 1.00 25.00 H new ATOM 0 HA LYS A 47 0.042 -0.249 -9.057 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.580 0.487 -7.676 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.480 1.657 -8.378 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.781 0.582 -10.593 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.921 -0.540 -9.876 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.428 1.314 -9.280 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.268 2.485 -9.875 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -4.753 2.294 -11.665 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -3.446 1.228 -12.142 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -5.460 0.098 -12.539 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -4.779 -0.635 -11.167 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -6.072 0.453 -10.995 1.00 25.00 H new ATOM 704 N LEU A 48 0.694 1.219 -6.921 1.00 25.00 N ATOM 705 CA LEU A 48 1.476 1.705 -5.762 1.00 25.00 C ATOM 706 C LEU A 48 1.431 3.240 -5.729 1.00 25.00 C ATOM 707 O LEU A 48 1.566 3.879 -6.778 1.00 25.00 O ATOM 708 CB LEU A 48 2.962 1.252 -5.824 1.00 25.00 C ATOM 709 CG LEU A 48 3.217 -0.218 -6.145 1.00 25.00 C ATOM 710 CD1 LEU A 48 4.677 -0.466 -6.503 1.00 25.00 C ATOM 711 CD2 LEU A 48 2.819 -1.072 -4.974 1.00 25.00 C ATOM 0 H LEU A 48 0.679 1.870 -7.706 1.00 25.00 H new ATOM 0 HA LEU A 48 1.030 1.279 -4.863 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.471 1.857 -6.574 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.427 1.476 -4.864 1.00 25.00 H new ATOM 0 HG LEU A 48 2.612 -0.485 -7.012 1.00 25.00 H new ATOM 0 HD11 LEU A 48 4.823 -1.523 -6.726 1.00 25.00 H new ATOM 0 HD12 LEU A 48 4.944 0.129 -7.377 1.00 25.00 H new ATOM 0 HD13 LEU A 48 5.311 -0.182 -5.663 1.00 25.00 H new ATOM 0 HD21 LEU A 48 3.003 -2.120 -5.209 1.00 25.00 H new ATOM 0 HD22 LEU A 48 3.405 -0.787 -4.100 1.00 25.00 H new ATOM 0 HD23 LEU A 48 1.759 -0.928 -4.762 1.00 25.00 H new ATOM 723 N GLN A 49 1.254 3.833 -4.534 1.00 25.00 N ATOM 724 CA GLN A 49 1.139 5.301 -4.404 1.00 25.00 C ATOM 725 C GLN A 49 2.003 5.836 -3.249 1.00 25.00 C ATOM 726 O GLN A 49 1.790 5.474 -2.097 1.00 25.00 O ATOM 727 CB GLN A 49 -0.340 5.714 -4.203 1.00 25.00 C ATOM 728 CG GLN A 49 -1.248 5.448 -5.414 1.00 25.00 C ATOM 729 CD GLN A 49 -2.689 5.880 -5.197 1.00 25.00 C ATOM 730 OE1 GLN A 49 -3.265 5.643 -4.137 1.00 25.00 O ATOM 731 NE2 GLN A 49 -3.280 6.509 -6.206 1.00 25.00 N ATOM 0 H GLN A 49 1.188 3.326 -3.651 1.00 25.00 H new ATOM 0 HA GLN A 49 1.508 5.743 -5.330 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.739 5.179 -3.341 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.378 6.777 -3.964 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.846 5.972 -6.281 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -1.227 4.383 -5.647 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -2.765 6.686 -7.069 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -4.249 6.816 -6.118 1.00 25.00 H new ATOM 740 N ALA A 50 2.978 6.710 -3.572 1.00 25.00 N ATOM 741 CA ALA A 50 3.884 7.298 -2.564 1.00 25.00 C ATOM 742 C ALA A 50 3.652 8.811 -2.381 1.00 25.00 C ATOM 743 O ALA A 50 3.207 9.493 -3.309 1.00 25.00 O ATOM 744 CB ALA A 50 5.331 7.031 -2.958 1.00 25.00 C ATOM 0 H ALA A 50 3.158 7.025 -4.525 1.00 25.00 H new ATOM 0 HA ALA A 50 3.667 6.823 -1.607 1.00 25.00 H new ATOM 0 HB1 ALA A 50 5.997 7.466 -2.213 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.501 5.956 -3.013 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.532 7.480 -3.931 1.00 25.00 H new ATOM 750 N THR A 51 3.965 9.322 -1.166 1.00 25.00 N ATOM 751 CA THR A 51 3.806 10.757 -0.821 1.00 25.00 C ATOM 752 C THR A 51 4.856 11.634 -1.543 1.00 25.00 C ATOM 753 O THR A 51 6.057 11.400 -1.381 1.00 25.00 O ATOM 754 CB THR A 51 3.932 11.011 0.714 1.00 25.00 C ATOM 755 OG1 THR A 51 3.768 12.407 1.002 1.00 25.00 O ATOM 756 CG2 THR A 51 5.284 10.558 1.245 1.00 25.00 C ATOM 0 H THR A 51 4.333 8.756 -0.401 1.00 25.00 H new ATOM 0 HA THR A 51 2.804 11.031 -1.150 1.00 25.00 H new ATOM 0 HB THR A 51 3.149 10.432 1.204 1.00 25.00 H new ATOM 0 HG1 THR A 51 4.571 12.745 1.452 1.00 25.00 H new ATOM 0 HG21 THR A 51 5.337 10.750 2.317 1.00 25.00 H new ATOM 0 HG22 THR A 51 5.408 9.491 1.061 1.00 25.00 H new ATOM 0 HG23 THR A 51 6.077 11.108 0.738 1.00 25.00 H new ATOM 764 N PRO A 52 4.422 12.657 -2.357 1.00 25.00 N ATOM 765 CA PRO A 52 5.347 13.617 -3.014 1.00 25.00 C ATOM 766 C PRO A 52 6.285 14.334 -2.030 1.00 25.00 C ATOM 767 O PRO A 52 6.039 14.349 -0.821 1.00 25.00 O ATOM 768 CB PRO A 52 4.411 14.652 -3.653 1.00 25.00 C ATOM 769 CG PRO A 52 3.096 13.974 -3.813 1.00 25.00 C ATOM 770 CD PRO A 52 3.008 12.933 -2.725 1.00 25.00 C ATOM 0 HA PRO A 52 6.001 13.097 -3.714 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.320 15.537 -3.023 1.00 25.00 H new ATOM 0 HB3 PRO A 52 4.798 14.985 -4.616 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.279 14.691 -3.730 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.016 13.512 -4.797 1.00 25.00 H new ATOM 0 HD2 PRO A 52 2.440 13.300 -1.870 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.507 12.032 -3.078 1.00 25.00 H new ATOM 778 N ALA A 53 7.356 14.941 -2.576 1.00 25.00 N ATOM 779 CA ALA A 53 8.345 15.690 -1.781 1.00 25.00 C ATOM 780 C ALA A 53 7.778 17.020 -1.263 1.00 25.00 C ATOM 781 O ALA A 53 8.380 17.665 -0.398 1.00 25.00 O ATOM 782 CB ALA A 53 9.599 15.939 -2.610 1.00 25.00 C ATOM 0 H ALA A 53 7.558 14.926 -3.576 1.00 25.00 H new ATOM 0 HA ALA A 53 8.598 15.083 -0.912 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.325 16.493 -2.015 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.031 14.985 -2.912 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.340 16.517 -3.497 1.00 25.00 H new ATOM 788 N SER A 54 6.622 17.416 -1.811 1.00 25.00 N ATOM 789 CA SER A 54 5.903 18.615 -1.373 1.00 25.00 C ATOM 790 C SER A 54 4.810 18.270 -0.353 1.00 25.00 C ATOM 791 O SER A 54 4.312 19.149 0.358 1.00 25.00 O ATOM 792 CB SER A 54 5.281 19.324 -2.579 1.00 25.00 C ATOM 793 OG SER A 54 4.340 18.495 -3.242 1.00 25.00 O ATOM 0 H SER A 54 6.161 16.914 -2.569 1.00 25.00 H new ATOM 0 HA SER A 54 6.621 19.278 -0.891 1.00 25.00 H new ATOM 0 HB2 SER A 54 4.792 20.241 -2.251 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.067 19.614 -3.277 1.00 25.00 H new ATOM 0 HG SER A 54 3.960 18.977 -4.006 1.00 25.00 H new ATOM 799 N SER A 55 4.451 16.979 -0.291 1.00 25.00 N ATOM 800 CA SER A 55 3.418 16.473 0.617 1.00 25.00 C ATOM 801 C SER A 55 3.848 16.529 2.084 1.00 25.00 C ATOM 802 O SER A 55 5.024 16.357 2.413 1.00 25.00 O ATOM 803 CB SER A 55 3.045 15.048 0.224 1.00 25.00 C ATOM 804 OG SER A 55 2.176 14.481 1.186 1.00 25.00 O ATOM 0 H SER A 55 4.873 16.255 -0.873 1.00 25.00 H new ATOM 0 HA SER A 55 2.548 17.122 0.521 1.00 25.00 H new ATOM 0 HB2 SER A 55 2.564 15.048 -0.754 1.00 25.00 H new ATOM 0 HB3 SER A 55 3.946 14.441 0.136 1.00 25.00 H new ATOM 0 HG SER A 55 2.391 13.532 1.302 1.00 25.00 H new ATOM 810 N GLU A 56 2.854 16.778 2.953 1.00 25.00 N ATOM 811 CA GLU A 56 3.027 16.823 4.421 1.00 25.00 C ATOM 812 C GLU A 56 3.474 15.484 4.999 1.00 25.00 C ATOM 813 O GLU A 56 3.768 15.367 6.194 1.00 25.00 O ATOM 814 CB GLU A 56 1.695 17.185 5.071 1.00 25.00 C ATOM 815 CG GLU A 56 1.237 18.599 4.781 1.00 25.00 C ATOM 816 CD GLU A 56 -0.127 18.910 5.366 1.00 25.00 C ATOM 817 OE1 GLU A 56 -0.742 18.001 5.962 1.00 25.00 O ATOM 818 OE2 GLU A 56 -0.584 20.065 5.226 1.00 25.00 O ATOM 0 H GLU A 56 1.895 16.956 2.656 1.00 25.00 H new ATOM 0 HA GLU A 56 3.798 17.565 4.629 1.00 25.00 H new ATOM 0 HB2 GLU A 56 0.932 16.488 4.726 1.00 25.00 H new ATOM 0 HB3 GLU A 56 1.781 17.055 6.150 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.967 19.301 5.182 1.00 25.00 H new ATOM 0 HG3 GLU A 56 1.207 18.752 3.702 1.00 25.00 H new ATOM 825 N LYS A 57 3.531 14.496 4.124 1.00 25.00 N ATOM 826 CA LYS A 57 3.599 13.105 4.522 1.00 25.00 C ATOM 827 C LYS A 57 4.843 12.409 4.004 1.00 25.00 C ATOM 828 O LYS A 57 5.356 12.731 2.928 1.00 25.00 O ATOM 829 CB LYS A 57 2.349 12.384 3.995 1.00 25.00 C ATOM 830 CG LYS A 57 1.012 12.946 4.465 1.00 25.00 C ATOM 831 CD LYS A 57 0.779 12.809 5.960 1.00 25.00 C ATOM 832 CE LYS A 57 -0.595 13.327 6.316 1.00 25.00 C ATOM 833 NZ LYS A 57 -0.895 13.180 7.768 1.00 25.00 N ATOM 0 H LYS A 57 3.531 14.638 3.114 1.00 25.00 H new ATOM 0 HA LYS A 57 3.645 13.069 5.610 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.370 12.410 2.906 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.405 11.336 4.290 1.00 25.00 H new ATOM 0 HG2 LYS A 57 0.956 14.000 4.193 1.00 25.00 H new ATOM 0 HG3 LYS A 57 0.208 12.437 3.934 1.00 25.00 H new ATOM 0 HD2 LYS A 57 0.872 11.764 6.257 1.00 25.00 H new ATOM 0 HD3 LYS A 57 1.540 13.365 6.508 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -0.668 14.378 6.036 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -1.345 12.790 5.736 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -1.847 13.549 7.965 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -0.851 12.175 8.031 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.196 13.714 8.323 1.00 25.00 H new ATOM 847 N MET A 58 5.327 11.461 4.808 1.00 25.00 N ATOM 848 CA MET A 58 6.361 10.531 4.381 1.00 25.00 C ATOM 849 C MET A 58 5.816 9.116 4.483 1.00 25.00 C ATOM 850 O MET A 58 5.845 8.496 5.553 1.00 25.00 O ATOM 851 CB MET A 58 7.613 10.697 5.249 1.00 25.00 C ATOM 852 CG MET A 58 8.190 12.110 5.207 1.00 25.00 C ATOM 853 SD MET A 58 9.709 12.301 6.171 1.00 25.00 S ATOM 854 CE MET A 58 9.086 12.339 7.853 1.00 25.00 C ATOM 0 H MET A 58 5.012 11.321 5.768 1.00 25.00 H new ATOM 0 HA MET A 58 6.642 10.735 3.348 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.369 10.441 6.280 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.374 9.991 4.917 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.391 12.381 4.170 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.442 12.810 5.580 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.919 12.453 8.547 1.00 25.00 H new ATOM 0 HE2 MET A 58 8.400 13.178 7.968 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.560 11.409 8.067 1.00 25.00 H new ATOM 864 N MET A 59 5.315 8.609 3.348 1.00 25.00 N ATOM 865 CA MET A 59 4.643 7.312 3.295 1.00 25.00 C ATOM 866 C MET A 59 4.692 6.704 1.896 1.00 25.00 C ATOM 867 O MET A 59 4.887 7.408 0.900 1.00 25.00 O ATOM 868 CB MET A 59 3.181 7.464 3.735 1.00 25.00 C ATOM 869 CG MET A 59 2.414 8.585 3.039 1.00 25.00 C ATOM 870 SD MET A 59 0.785 8.919 3.774 1.00 25.00 S ATOM 871 CE MET A 59 1.112 8.962 5.544 1.00 25.00 C ATOM 0 H MET A 59 5.366 9.086 2.448 1.00 25.00 H new ATOM 0 HA MET A 59 5.170 6.640 3.973 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.663 6.522 3.554 1.00 25.00 H new ATOM 0 HB3 MET A 59 3.157 7.640 4.810 1.00 25.00 H new ATOM 0 HG2 MET A 59 3.011 9.496 3.071 1.00 25.00 H new ATOM 0 HG3 MET A 59 2.283 8.326 1.988 1.00 25.00 H new ATOM 0 HE1 MET A 59 0.199 9.229 6.076 1.00 25.00 H new ATOM 0 HE2 MET A 59 1.451 7.981 5.875 1.00 25.00 H new ATOM 0 HE3 MET A 59 1.884 9.703 5.754 1.00 25.00 H new ATOM 881 N LEU A 60 4.508 5.380 1.850 1.00 25.00 N ATOM 882 CA LEU A 60 4.483 4.623 0.606 1.00 25.00 C ATOM 883 C LEU A 60 3.317 3.639 0.645 1.00 25.00 C ATOM 884 O LEU A 60 3.263 2.767 1.516 1.00 25.00 O ATOM 885 CB LEU A 60 5.815 3.873 0.433 1.00 25.00 C ATOM 886 CG LEU A 60 5.853 2.779 -0.642 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.935 3.392 -2.015 1.00 25.00 C ATOM 888 CD2 LEU A 60 7.022 1.832 -0.462 1.00 25.00 C ATOM 0 H LEU A 60 4.372 4.806 2.682 1.00 25.00 H new ATOM 0 HA LEU A 60 4.352 5.298 -0.240 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.590 4.604 0.203 1.00 25.00 H new ATOM 0 HB3 LEU A 60 6.078 3.420 1.389 1.00 25.00 H new ATOM 0 HG LEU A 60 4.930 2.209 -0.536 1.00 25.00 H new ATOM 0 HD11 LEU A 60 5.961 2.602 -2.765 1.00 25.00 H new ATOM 0 HD12 LEU A 60 5.063 4.024 -2.184 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.840 3.994 -2.091 1.00 25.00 H new ATOM 0 HD21 LEU A 60 7.003 1.077 -1.248 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.956 2.392 -0.519 1.00 25.00 H new ATOM 0 HD23 LEU A 60 6.949 1.345 0.511 1.00 25.00 H new ATOM 900 N ARG A 61 2.387 3.781 -0.301 1.00 25.00 N ATOM 901 CA ARG A 61 1.184 2.950 -0.320 1.00 25.00 C ATOM 902 C ARG A 61 1.250 1.873 -1.399 1.00 25.00 C ATOM 903 O ARG A 61 1.795 2.086 -2.485 1.00 25.00 O ATOM 904 CB ARG A 61 -0.087 3.798 -0.482 1.00 25.00 C ATOM 905 CG ARG A 61 -0.376 4.674 0.731 1.00 25.00 C ATOM 906 CD ARG A 61 -1.767 5.293 0.694 1.00 25.00 C ATOM 907 NE ARG A 61 -2.023 6.131 1.869 1.00 25.00 N ATOM 908 CZ ARG A 61 -2.547 5.688 3.024 1.00 25.00 C ATOM 909 NH1 ARG A 61 -2.883 4.408 3.183 1.00 25.00 N ATOM 910 NH2 ARG A 61 -2.738 6.537 4.023 1.00 25.00 N ATOM 0 H ARG A 61 2.444 4.460 -1.060 1.00 25.00 H new ATOM 0 HA ARG A 61 1.137 2.449 0.647 1.00 25.00 H new ATOM 0 HB2 ARG A 61 0.014 4.430 -1.364 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.937 3.139 -0.658 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -0.273 4.077 1.637 1.00 25.00 H new ATOM 0 HG3 ARG A 61 0.369 5.468 0.786 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -1.874 5.893 -0.210 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -2.515 4.502 0.642 1.00 25.00 H new ATOM 0 HE ARG A 61 -1.786 7.121 1.805 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -2.744 3.746 2.420 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -3.280 4.091 4.068 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -2.488 7.520 3.912 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -3.135 6.208 4.903 1.00 25.00 H new ATOM 924 N LEU A 62 0.683 0.711 -1.065 1.00 25.00 N ATOM 925 CA LEU A 62 0.673 -0.459 -1.939 1.00 25.00 C ATOM 926 C LEU A 62 -0.766 -0.937 -2.182 1.00 25.00 C ATOM 927 O LEU A 62 -1.410 -1.502 -1.293 1.00 25.00 O ATOM 928 CB LEU A 62 1.520 -1.580 -1.296 1.00 25.00 C ATOM 929 CG LEU A 62 3.063 -1.492 -1.376 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.600 -0.678 -0.223 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.746 -2.862 -1.422 1.00 25.00 C ATOM 0 H LEU A 62 0.215 0.557 -0.172 1.00 25.00 H new ATOM 0 HA LEU A 62 1.104 -0.193 -2.904 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.247 -1.635 -0.242 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.220 -2.523 -1.753 1.00 25.00 H new ATOM 0 HG LEU A 62 3.298 -0.997 -2.318 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.687 -0.624 -0.291 1.00 25.00 H new ATOM 0 HD12 LEU A 62 3.183 0.328 -0.263 1.00 25.00 H new ATOM 0 HD13 LEU A 62 3.318 -1.150 0.718 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.826 -2.728 -1.477 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.496 -3.424 -0.522 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.403 -3.410 -2.299 1.00 25.00 H new ATOM 943 N ILE A 63 -1.250 -0.703 -3.402 1.00 25.00 N ATOM 944 CA ILE A 63 -2.632 -1.023 -3.803 1.00 25.00 C ATOM 945 C ILE A 63 -2.720 -2.493 -4.262 1.00 25.00 C ATOM 946 O ILE A 63 -1.929 -2.940 -5.094 1.00 25.00 O ATOM 947 CB ILE A 63 -3.097 -0.041 -4.942 1.00 25.00 C ATOM 948 CG1 ILE A 63 -3.024 1.451 -4.525 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.518 -0.326 -5.432 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.280 2.456 -5.632 1.00 25.00 C ATOM 0 H ILE A 63 -0.696 -0.284 -4.149 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.298 -0.895 -2.950 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.391 -0.224 -5.752 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -3.748 1.623 -3.729 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -2.037 1.644 -4.105 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.781 0.383 -6.217 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.570 -1.340 -5.828 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.217 -0.224 -4.601 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.204 3.467 -5.231 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -2.541 2.323 -6.422 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.279 2.301 -6.040 1.00 25.00 H new ATOM 962 N GLY A 64 -3.705 -3.215 -3.713 1.00 25.00 N ATOM 963 CA GLY A 64 -3.859 -4.638 -3.981 1.00 25.00 C ATOM 964 C GLY A 64 -4.757 -4.946 -5.166 1.00 25.00 C ATOM 965 O GLY A 64 -5.416 -4.056 -5.711 1.00 25.00 O ATOM 0 H GLY A 64 -4.406 -2.830 -3.080 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.876 -5.073 -4.160 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.265 -5.123 -3.094 1.00 25.00 H new ATOM 969 N LYS A 65 -4.770 -6.225 -5.555 1.00 25.00 N ATOM 970 CA LYS A 65 -5.540 -6.701 -6.705 1.00 25.00 C ATOM 971 C LYS A 65 -6.937 -7.182 -6.316 1.00 25.00 C ATOM 972 O LYS A 65 -7.090 -8.080 -5.479 1.00 25.00 O ATOM 973 CB LYS A 65 -4.786 -7.829 -7.393 1.00 25.00 C ATOM 974 CG LYS A 65 -5.430 -8.256 -8.675 1.00 25.00 C ATOM 975 CD LYS A 65 -4.680 -9.400 -9.311 1.00 25.00 C ATOM 976 CE LYS A 65 -5.334 -9.785 -10.609 1.00 25.00 C ATOM 977 NZ LYS A 65 -4.653 -10.924 -11.280 1.00 25.00 N ATOM 0 H LYS A 65 -4.245 -6.959 -5.079 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.664 -5.857 -7.384 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.764 -7.508 -7.594 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.725 -8.684 -6.719 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.461 -8.555 -8.485 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.465 -7.413 -9.365 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -3.644 -9.113 -9.488 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.663 -10.255 -8.635 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -6.375 -10.049 -10.422 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.338 -8.925 -11.278 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -5.144 -11.147 -12.169 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -3.666 -10.667 -11.485 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.671 -11.756 -10.656 1.00 25.00 H new ATOM 1019 N GLU A 68 -12.963 -6.864 -10.191 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.042 -5.884 -10.369 1.00 25.00 C ATOM 1021 C GLU A 68 -15.192 -6.424 -11.240 1.00 25.00 C ATOM 1022 O GLU A 68 -16.188 -5.729 -11.457 1.00 25.00 O ATOM 1023 CB GLU A 68 -13.475 -4.582 -10.951 1.00 25.00 C ATOM 1024 CG GLU A 68 -12.738 -3.722 -9.925 1.00 25.00 C ATOM 1025 CD GLU A 68 -12.286 -2.392 -10.494 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -13.138 -1.657 -11.036 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -11.079 -2.085 -10.399 1.00 25.00 O ATOM 0 HA GLU A 68 -14.469 -5.682 -9.387 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -12.793 -4.825 -11.766 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -14.291 -4.001 -11.381 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.391 -3.544 -9.070 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -11.870 -4.268 -9.555 1.00 25.00 H new ATOM 1034 N SER A 69 -15.048 -7.668 -11.725 1.00 25.00 N ATOM 1035 CA SER A 69 -16.075 -8.319 -12.558 1.00 25.00 C ATOM 1036 C SER A 69 -17.187 -8.968 -11.710 1.00 25.00 C ATOM 1037 O SER A 69 -18.263 -9.286 -12.227 1.00 25.00 O ATOM 1038 CB SER A 69 -15.425 -9.372 -13.466 1.00 25.00 C ATOM 1039 OG SER A 69 -15.016 -10.514 -12.729 1.00 25.00 O ATOM 0 H SER A 69 -14.226 -8.247 -11.554 1.00 25.00 H new ATOM 0 HA SER A 69 -16.540 -7.544 -13.168 1.00 25.00 H new ATOM 0 HB2 SER A 69 -16.131 -9.671 -14.241 1.00 25.00 H new ATOM 0 HB3 SER A 69 -14.563 -8.936 -13.971 1.00 25.00 H new ATOM 0 HG SER A 69 -14.608 -11.166 -13.336 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.915 -9.149 -10.408 1.00 25.00 N ATOM 1046 CA LYS A 70 -17.860 -9.751 -9.463 1.00 25.00 C ATOM 1047 C LYS A 70 -18.807 -8.691 -8.850 1.00 25.00 C ATOM 1048 O LYS A 70 -19.224 -8.800 -7.689 1.00 25.00 O ATOM 1049 CB LYS A 70 -17.055 -10.467 -8.370 1.00 25.00 C ATOM 1050 CG LYS A 70 -16.392 -11.762 -8.845 1.00 25.00 C ATOM 1051 CD LYS A 70 -15.621 -12.488 -7.737 1.00 25.00 C ATOM 1052 CE LYS A 70 -14.899 -13.744 -8.234 1.00 25.00 C ATOM 1053 NZ LYS A 70 -13.988 -14.322 -7.204 1.00 25.00 N ATOM 0 H LYS A 70 -16.028 -8.879 -9.982 1.00 25.00 H new ATOM 0 HA LYS A 70 -18.493 -10.465 -9.989 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -16.286 -9.791 -7.996 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -17.716 -10.693 -7.533 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -17.157 -12.429 -9.243 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -15.710 -11.534 -9.664 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -14.892 -11.805 -7.302 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -16.313 -12.764 -6.942 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -15.636 -14.493 -8.524 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -14.324 -13.500 -9.127 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -13.523 -15.169 -7.588 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -13.267 -13.619 -6.945 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -14.538 -14.581 -6.360 1.00 25.00 H new ATOM 1067 N LYS A 71 -19.139 -7.681 -9.662 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.993 -6.537 -9.258 1.00 25.00 C ATOM 1069 C LYS A 71 -21.254 -6.986 -8.505 1.00 25.00 C ATOM 1070 O LYS A 71 -22.068 -7.751 -9.038 1.00 25.00 O ATOM 1071 CB LYS A 71 -20.420 -5.730 -10.499 1.00 25.00 C ATOM 1072 CG LYS A 71 -19.283 -5.023 -11.230 1.00 25.00 C ATOM 1073 CD LYS A 71 -19.795 -4.228 -12.418 1.00 25.00 C ATOM 1074 CE LYS A 71 -18.662 -3.562 -13.174 1.00 25.00 C ATOM 1075 NZ LYS A 71 -19.162 -2.675 -14.261 1.00 25.00 N ATOM 0 H LYS A 71 -18.823 -7.626 -10.630 1.00 25.00 H new ATOM 0 HA LYS A 71 -19.396 -5.920 -8.587 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -20.918 -6.402 -11.197 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -21.155 -4.985 -10.194 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -18.765 -4.356 -10.541 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -18.554 -5.759 -11.570 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -20.343 -4.889 -13.090 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -20.498 -3.470 -12.073 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -18.057 -2.979 -12.480 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -18.012 -4.326 -13.600 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -18.355 -2.240 -14.752 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -19.719 -3.235 -14.938 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -19.762 -1.930 -13.853 1.00 25.00 H new ATOM 1089 N ARG A 72 -21.396 -6.509 -7.260 1.00 25.00 N ATOM 1090 CA ARG A 72 -22.503 -6.909 -6.396 1.00 25.00 C ATOM 1091 C ARG A 72 -23.603 -5.840 -6.401 1.00 25.00 C ATOM 1092 O ARG A 72 -23.326 -4.659 -6.619 1.00 25.00 O ATOM 1093 CB ARG A 72 -21.975 -7.151 -4.970 1.00 25.00 C ATOM 1094 CG ARG A 72 -23.053 -7.487 -3.937 1.00 25.00 C ATOM 1095 CD ARG A 72 -22.456 -7.989 -2.627 1.00 25.00 C ATOM 1096 NE ARG A 72 -21.601 -6.986 -1.976 1.00 25.00 N ATOM 1097 CZ ARG A 72 -22.026 -6.082 -1.080 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -23.304 -6.028 -0.704 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -21.162 -5.224 -0.556 1.00 25.00 N ATOM 0 H ARG A 72 -20.752 -5.843 -6.833 1.00 25.00 H new ATOM 0 HA ARG A 72 -22.940 -7.834 -6.772 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -21.252 -7.966 -4.998 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -21.439 -6.261 -4.640 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -23.657 -6.601 -3.743 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -23.721 -8.246 -4.345 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -23.262 -8.270 -1.949 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -21.872 -8.889 -2.819 1.00 25.00 H new ATOM 0 HE ARG A 72 -20.612 -6.976 -2.224 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -23.980 -6.682 -1.099 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -23.606 -5.333 -0.021 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -20.181 -5.254 -0.834 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -21.478 -4.534 0.126 1.00 25.00 H new ATOM 1113 N LYS A 73 -24.847 -6.275 -6.176 1.00 25.00 N ATOM 1114 CA LYS A 73 -25.993 -5.368 -6.074 1.00 25.00 C ATOM 1115 C LYS A 73 -26.740 -5.620 -4.767 1.00 25.00 C ATOM 1116 O LYS A 73 -26.886 -6.770 -4.336 1.00 25.00 O ATOM 1117 CB LYS A 73 -26.947 -5.543 -7.265 1.00 25.00 C ATOM 1118 CG LYS A 73 -26.322 -5.181 -8.601 1.00 25.00 C ATOM 1119 CD LYS A 73 -27.316 -5.277 -9.744 1.00 25.00 C ATOM 1120 CE LYS A 73 -26.652 -4.980 -11.080 1.00 25.00 C ATOM 1121 NZ LYS A 73 -27.618 -5.022 -12.216 1.00 25.00 N ATOM 0 H LYS A 73 -25.086 -7.260 -6.060 1.00 25.00 H new ATOM 0 HA LYS A 73 -25.619 -4.344 -6.087 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -27.285 -6.579 -7.300 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -27.830 -4.924 -7.107 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.925 -4.167 -8.551 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -25.480 -5.844 -8.798 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -27.752 -6.276 -9.766 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -28.134 -4.575 -9.578 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -26.185 -3.996 -11.040 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -25.856 -5.704 -11.256 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.119 -4.813 -13.104 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -28.046 -5.968 -12.273 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -28.364 -4.314 -12.064 1.00 25.00 H new ATOM 1135 N ASP A 74 -27.212 -4.536 -4.147 1.00 25.00 N ATOM 1136 CA ASP A 74 -27.894 -4.604 -2.847 1.00 25.00 C ATOM 1137 C ASP A 74 -29.394 -4.950 -3.000 1.00 25.00 C ATOM 1138 O ASP A 74 -29.834 -5.307 -4.097 1.00 25.00 O ATOM 1139 CB ASP A 74 -27.685 -3.284 -2.067 1.00 25.00 C ATOM 1140 CG ASP A 74 -28.414 -2.089 -2.670 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -29.241 -2.299 -3.580 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -28.152 -0.950 -2.229 1.00 25.00 O ATOM 0 H ASP A 74 -27.135 -3.592 -4.526 1.00 25.00 H new ATOM 0 HA ASP A 74 -27.449 -5.415 -2.271 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -28.023 -3.423 -1.040 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -26.618 -3.063 -2.025 1.00 25.00 H new ATOM 1147 N ASN A 75 -30.168 -4.839 -1.903 1.00 25.00 N ATOM 1148 CA ASN A 75 -31.597 -5.227 -1.878 1.00 25.00 C ATOM 1149 C ASN A 75 -32.446 -4.514 -2.948 1.00 25.00 C ATOM 1150 O ASN A 75 -33.407 -5.092 -3.467 1.00 25.00 O ATOM 1151 CB ASN A 75 -32.193 -4.941 -0.493 1.00 25.00 C ATOM 1152 CG ASN A 75 -31.724 -5.916 0.578 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -31.257 -7.018 0.281 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -31.847 -5.511 1.836 1.00 25.00 N ATOM 0 H ASN A 75 -29.825 -4.480 -1.012 1.00 25.00 H new ATOM 0 HA ASN A 75 -31.627 -6.293 -2.102 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -31.927 -3.927 -0.193 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -33.280 -4.979 -0.558 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -31.550 -6.119 2.599 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -32.239 -4.591 2.040 1.00 25.00 H new ATOM 1161 N GLU A 76 -32.069 -3.277 -3.286 1.00 25.00 N ATOM 1162 CA GLU A 76 -32.844 -2.452 -4.223 1.00 25.00 C ATOM 1163 C GLU A 76 -32.393 -2.656 -5.678 1.00 25.00 C ATOM 1164 O GLU A 76 -33.111 -2.284 -6.611 1.00 25.00 O ATOM 1165 CB GLU A 76 -32.734 -0.967 -3.844 1.00 25.00 C ATOM 1166 CG GLU A 76 -33.396 -0.619 -2.515 1.00 25.00 C ATOM 1167 CD GLU A 76 -33.224 0.841 -2.139 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -32.676 1.605 -2.962 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -33.636 1.219 -1.023 1.00 25.00 O ATOM 0 H GLU A 76 -31.230 -2.823 -2.925 1.00 25.00 H new ATOM 0 HA GLU A 76 -33.884 -2.769 -4.150 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -31.681 -0.691 -3.798 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -33.187 -0.366 -4.633 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -34.459 -0.852 -2.571 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -32.974 -1.245 -1.729 1.00 25.00 H new ATOM 1176 N GLY A 77 -31.207 -3.254 -5.854 1.00 25.00 N ATOM 1177 CA GLY A 77 -30.660 -3.487 -7.188 1.00 25.00 C ATOM 1178 C GLY A 77 -29.665 -2.420 -7.611 1.00 25.00 C ATOM 1179 O GLY A 77 -29.369 -2.283 -8.802 1.00 25.00 O ATOM 0 H GLY A 77 -30.614 -3.582 -5.091 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -30.172 -4.462 -7.211 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -31.476 -3.522 -7.909 1.00 25.00 H new ATOM 1183 N ASN A 78 -29.153 -1.666 -6.630 1.00 25.00 N ATOM 1184 CA ASN A 78 -28.138 -0.638 -6.874 1.00 25.00 C ATOM 1185 C ASN A 78 -26.743 -1.262 -6.863 1.00 25.00 C ATOM 1186 O ASN A 78 -26.482 -2.199 -6.101 1.00 25.00 O ATOM 1187 CB ASN A 78 -28.230 0.475 -5.818 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.487 1.326 -5.946 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -29.721 1.974 -6.969 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -30.306 1.327 -4.901 1.00 25.00 N ATOM 0 H ASN A 78 -29.429 -1.752 -5.652 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.320 -0.198 -7.855 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -28.203 0.027 -4.825 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.354 1.118 -5.901 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -31.164 1.877 -4.926 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -30.077 0.777 -4.073 1.00 25.00 H new ATOM 1197 N GLU A 79 -25.854 -0.733 -7.712 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.515 -1.299 -7.899 1.00 25.00 C ATOM 1199 C GLU A 79 -23.615 -1.001 -6.695 1.00 25.00 C ATOM 1200 O GLU A 79 -23.332 0.161 -6.384 1.00 25.00 O ATOM 1201 CB GLU A 79 -23.889 -0.742 -9.188 1.00 25.00 C ATOM 1202 CG GLU A 79 -22.551 -1.350 -9.563 1.00 25.00 C ATOM 1203 CD GLU A 79 -22.030 -0.810 -10.879 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -22.746 -0.011 -11.519 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -20.903 -1.183 -11.272 1.00 25.00 O ATOM 0 H GLU A 79 -26.041 0.091 -8.283 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.608 -2.382 -7.985 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -24.586 -0.899 -10.011 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -23.764 0.335 -9.078 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -21.826 -1.145 -8.775 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -22.651 -2.433 -9.630 1.00 25.00 H new ATOM 1212 N VAL A 80 -23.184 -2.072 -6.028 1.00 25.00 N ATOM 1213 CA VAL A 80 -22.267 -1.974 -4.898 1.00 25.00 C ATOM 1214 C VAL A 80 -21.036 -2.827 -5.178 1.00 25.00 C ATOM 1215 O VAL A 80 -21.059 -4.055 -5.034 1.00 25.00 O ATOM 1216 CB VAL A 80 -22.926 -2.369 -3.535 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -21.930 -2.208 -2.395 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -24.188 -1.559 -3.240 1.00 25.00 C ATOM 0 H VAL A 80 -23.461 -3.027 -6.256 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.979 -0.928 -4.794 1.00 25.00 H new ATOM 0 HB VAL A 80 -23.220 -3.415 -3.618 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -22.405 -2.487 -1.455 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -21.068 -2.852 -2.571 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -21.602 -1.170 -2.342 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -24.606 -1.872 -2.283 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -23.938 -0.499 -3.197 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -24.921 -1.728 -4.029 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.966 -2.156 -5.590 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.779 -2.835 -6.093 1.00 25.00 C ATOM 1230 C VAL A 81 -17.679 -2.947 -5.011 1.00 25.00 C ATOM 1231 O VAL A 81 -17.329 -1.944 -4.384 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.248 -2.150 -7.401 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -16.995 -2.834 -7.954 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.327 -2.051 -8.486 1.00 25.00 C ATOM 0 H VAL A 81 -19.897 -1.138 -5.585 1.00 25.00 H new ATOM 0 HA VAL A 81 -19.067 -3.854 -6.352 1.00 25.00 H new ATOM 0 HB VAL A 81 -17.971 -1.137 -7.110 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -16.670 -2.321 -8.859 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.200 -2.795 -7.209 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.222 -3.874 -8.189 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -18.910 -1.570 -9.371 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.674 -3.051 -8.746 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.165 -1.462 -8.113 1.00 25.00 H new ATOM 1244 N PRO A 82 -17.120 -4.182 -4.774 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.980 -4.379 -3.858 1.00 25.00 C ATOM 1246 C PRO A 82 -14.684 -3.840 -4.449 1.00 25.00 C ATOM 1247 O PRO A 82 -14.262 -4.238 -5.540 1.00 25.00 O ATOM 1248 CB PRO A 82 -15.911 -5.905 -3.682 1.00 25.00 C ATOM 1249 CG PRO A 82 -16.503 -6.451 -4.932 1.00 25.00 C ATOM 1250 CD PRO A 82 -17.557 -5.488 -5.322 1.00 25.00 C ATOM 0 HA PRO A 82 -16.110 -3.847 -2.916 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -14.883 -6.243 -3.549 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -16.469 -6.229 -2.804 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -15.750 -6.547 -5.714 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -16.920 -7.445 -4.768 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -17.666 -5.443 -6.406 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -18.526 -5.780 -4.916 1.00 25.00 H new ATOM 1258 N LYS A 83 -14.081 -2.922 -3.712 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.919 -2.166 -4.192 1.00 25.00 C ATOM 1260 C LYS A 83 -11.572 -2.782 -3.741 1.00 25.00 C ATOM 1261 O LYS A 83 -11.538 -3.564 -2.786 1.00 25.00 O ATOM 1262 CB LYS A 83 -13.019 -0.682 -3.768 1.00 25.00 C ATOM 1263 CG LYS A 83 -14.169 0.079 -4.384 1.00 25.00 C ATOM 1264 CD LYS A 83 -14.070 0.217 -5.904 1.00 25.00 C ATOM 1265 CE LYS A 83 -15.208 1.047 -6.505 1.00 25.00 C ATOM 1266 NZ LYS A 83 -15.168 1.049 -7.993 1.00 25.00 N ATOM 0 H LYS A 83 -14.376 -2.675 -2.767 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.935 -2.222 -5.280 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -13.111 -0.635 -2.683 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -12.088 -0.180 -4.031 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -15.102 -0.425 -4.134 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -14.215 1.073 -3.940 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -13.116 0.679 -6.160 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -14.075 -0.776 -6.354 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -16.165 0.648 -6.168 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -15.143 2.072 -6.139 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -15.954 1.622 -8.361 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -14.265 1.453 -8.315 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -15.256 0.074 -8.344 1.00 25.00 H new ATOM 1335 N HIS A 87 -2.129 -0.773 1.150 1.00 25.00 N ATOM 1336 CA HIS A 87 -1.148 -0.840 2.247 1.00 25.00 C ATOM 1337 C HIS A 87 -0.366 0.481 2.330 1.00 25.00 C ATOM 1338 O HIS A 87 -0.296 1.206 1.342 1.00 25.00 O ATOM 1339 CB HIS A 87 -0.190 -2.020 2.009 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.870 -3.355 1.907 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.178 -4.132 3.004 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -1.291 -4.054 0.824 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -1.755 -5.251 2.602 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.836 -5.227 1.285 1.00 25.00 N ATOM 0 HA HIS A 87 -1.668 -0.994 3.192 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.370 -1.839 1.092 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.534 -2.055 2.823 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -1.212 -3.746 -0.208 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.101 -6.049 3.242 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -2.239 -5.962 0.703 1.00 25.00 H new ATOM 1353 N MET A 88 0.192 0.814 3.511 1.00 25.00 N ATOM 1354 CA MET A 88 1.002 2.041 3.668 1.00 25.00 C ATOM 1355 C MET A 88 2.228 1.786 4.555 1.00 25.00 C ATOM 1356 O MET A 88 2.162 1.031 5.528 1.00 25.00 O ATOM 1357 CB MET A 88 0.159 3.198 4.252 1.00 25.00 C ATOM 1358 CG MET A 88 0.935 4.499 4.475 1.00 25.00 C ATOM 1359 SD MET A 88 -0.075 5.820 5.176 1.00 25.00 S ATOM 1360 CE MET A 88 -0.188 5.292 6.883 1.00 25.00 C ATOM 0 H MET A 88 0.099 0.259 4.361 1.00 25.00 H new ATOM 0 HA MET A 88 1.346 2.330 2.675 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.675 3.398 3.580 1.00 25.00 H new ATOM 0 HB3 MET A 88 -0.267 2.877 5.202 1.00 25.00 H new ATOM 0 HG2 MET A 88 1.777 4.303 5.139 1.00 25.00 H new ATOM 0 HG3 MET A 88 1.350 4.834 3.525 1.00 25.00 H new ATOM 0 HE1 MET A 88 -0.708 6.053 7.465 1.00 25.00 H new ATOM 0 HE2 MET A 88 -0.739 4.353 6.938 1.00 25.00 H new ATOM 0 HE3 MET A 88 0.814 5.148 7.286 1.00 25.00 H new ATOM 1370 N PHE A 89 3.342 2.439 4.192 1.00 25.00 N ATOM 1371 CA PHE A 89 4.596 2.370 4.953 1.00 25.00 C ATOM 1372 C PHE A 89 5.182 3.775 5.091 1.00 25.00 C ATOM 1373 O PHE A 89 5.325 4.478 4.093 1.00 25.00 O ATOM 1374 CB PHE A 89 5.635 1.478 4.245 1.00 25.00 C ATOM 1375 CG PHE A 89 5.306 0.012 4.211 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.674 -0.545 3.116 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.640 -0.806 5.280 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.379 -1.891 3.084 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.347 -2.153 5.260 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.683 -2.690 4.141 1.00 25.00 C ATOM 0 H PHE A 89 3.398 3.030 3.362 1.00 25.00 H new ATOM 0 HA PHE A 89 4.372 1.943 5.931 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.754 1.831 3.221 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.597 1.606 4.740 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.408 0.081 2.277 1.00 25.00 H new ATOM 0 HD2 PHE A 89 6.137 -0.382 6.140 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.902 -2.314 2.212 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.623 -2.786 6.090 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.415 -3.736 4.122 1.00 25.00 H new ATOM 1390 N SER A 90 5.535 4.182 6.313 1.00 25.00 N ATOM 1391 CA SER A 90 6.093 5.521 6.539 1.00 25.00 C ATOM 1392 C SER A 90 7.610 5.544 6.360 1.00 25.00 C ATOM 1393 O SER A 90 8.315 4.613 6.749 1.00 25.00 O ATOM 1394 CB SER A 90 5.698 6.059 7.906 1.00 25.00 C ATOM 1395 OG SER A 90 6.455 7.207 8.243 1.00 25.00 O ATOM 0 H SER A 90 5.446 3.612 7.154 1.00 25.00 H new ATOM 0 HA SER A 90 5.666 6.178 5.781 1.00 25.00 H new ATOM 0 HB2 SER A 90 4.636 6.306 7.909 1.00 25.00 H new ATOM 0 HB3 SER A 90 5.848 5.287 8.661 1.00 25.00 H new ATOM 0 HG SER A 90 6.420 7.850 7.504 1.00 25.00 H new ATOM 1401 N PHE A 91 8.083 6.635 5.762 1.00 25.00 N ATOM 1402 CA PHE A 91 9.482 6.783 5.354 1.00 25.00 C ATOM 1403 C PHE A 91 10.117 8.030 5.969 1.00 25.00 C ATOM 1404 O PHE A 91 9.448 8.803 6.659 1.00 25.00 O ATOM 1405 CB PHE A 91 9.552 6.847 3.821 1.00 25.00 C ATOM 1406 CG PHE A 91 9.578 5.499 3.152 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.482 4.650 3.235 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.693 5.075 2.447 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.503 3.407 2.635 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.713 3.833 1.843 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.629 3.021 1.895 1.00 25.00 C ATOM 0 H PHE A 91 7.505 7.447 5.545 1.00 25.00 H new ATOM 0 HA PHE A 91 10.044 5.922 5.715 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.694 7.408 3.452 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.444 7.402 3.531 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.602 4.966 3.776 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.554 5.722 2.369 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.660 2.739 2.735 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.602 3.505 1.324 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.633 2.079 1.367 1.00 25.00 H new ATOM 1421 N ASN A 92 11.425 8.197 5.729 1.00 25.00 N ATOM 1422 CA ASN A 92 12.170 9.347 6.238 1.00 25.00 C ATOM 1423 C ASN A 92 12.846 10.122 5.092 1.00 25.00 C ATOM 1424 O ASN A 92 13.245 11.276 5.279 1.00 25.00 O ATOM 1425 CB ASN A 92 13.215 8.880 7.269 1.00 25.00 C ATOM 1426 CG ASN A 92 12.599 8.238 8.503 1.00 25.00 C ATOM 1427 OD1 ASN A 92 12.000 8.919 9.337 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.736 6.924 8.621 1.00 25.00 N ATOM 0 H ASN A 92 11.987 7.545 5.183 1.00 25.00 H new ATOM 0 HA ASN A 92 11.469 10.024 6.726 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.889 8.166 6.795 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.819 9.734 7.576 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.338 6.440 9.426 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.240 6.398 7.907 1.00 25.00 H new ATOM 1435 N ASN A 93 12.971 9.486 3.912 1.00 25.00 N ATOM 1436 CA ASN A 93 13.621 10.107 2.750 1.00 25.00 C ATOM 1437 C ASN A 93 12.961 9.655 1.448 1.00 25.00 C ATOM 1438 O ASN A 93 12.795 8.456 1.205 1.00 25.00 O ATOM 1439 CB ASN A 93 15.125 9.771 2.709 1.00 25.00 C ATOM 1440 CG ASN A 93 15.899 10.616 1.712 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.316 11.246 0.831 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.221 10.625 1.843 1.00 25.00 N ATOM 0 H ASN A 93 12.629 8.540 3.741 1.00 25.00 H new ATOM 0 HA ASN A 93 13.504 11.186 2.851 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.550 9.913 3.703 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.249 8.718 2.457 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.794 11.169 1.198 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.663 10.088 2.589 1.00 25.00 H new ATOM 1449 N ARG A 94 12.587 10.643 0.619 1.00 25.00 N ATOM 1450 CA ARG A 94 11.986 10.418 -0.714 1.00 25.00 C ATOM 1451 C ARG A 94 12.881 9.597 -1.653 1.00 25.00 C ATOM 1452 O ARG A 94 12.390 9.017 -2.625 1.00 25.00 O ATOM 1453 CB ARG A 94 11.674 11.759 -1.379 1.00 25.00 C ATOM 1454 CG ARG A 94 12.891 12.551 -1.803 1.00 25.00 C ATOM 1455 CD ARG A 94 12.512 13.799 -2.567 1.00 25.00 C ATOM 1456 NE ARG A 94 11.852 13.500 -3.850 1.00 25.00 N ATOM 1457 CZ ARG A 94 11.944 14.253 -4.956 1.00 25.00 C ATOM 1458 NH1 ARG A 94 12.653 15.379 -4.969 1.00 25.00 N ATOM 1459 NH2 ARG A 94 11.311 13.874 -6.059 1.00 25.00 N ATOM 0 H ARG A 94 12.692 11.630 0.853 1.00 25.00 H new ATOM 0 HA ARG A 94 11.075 9.844 -0.545 1.00 25.00 H new ATOM 0 HB2 ARG A 94 11.051 11.579 -2.255 1.00 25.00 H new ATOM 0 HB3 ARG A 94 11.086 12.364 -0.689 1.00 25.00 H new ATOM 0 HG2 ARG A 94 13.470 12.827 -0.922 1.00 25.00 H new ATOM 0 HG3 ARG A 94 13.533 11.926 -2.424 1.00 25.00 H new ATOM 0 HD2 ARG A 94 11.847 14.408 -1.954 1.00 25.00 H new ATOM 0 HD3 ARG A 94 13.407 14.393 -2.753 1.00 25.00 H new ATOM 0 HE ARG A 94 11.282 12.656 -3.901 1.00 25.00 H new ATOM 0 HH11 ARG A 94 13.140 15.685 -4.127 1.00 25.00 H new ATOM 0 HH12 ARG A 94 12.709 15.936 -5.821 1.00 25.00 H new ATOM 0 HH21 ARG A 94 10.760 13.016 -6.061 1.00 25.00 H new ATOM 0 HH22 ARG A 94 11.376 14.441 -6.904 1.00 25.00 H new ATOM 1473 N THR A 95 14.187 9.554 -1.356 1.00 25.00 N ATOM 1474 CA THR A 95 15.159 8.831 -2.185 1.00 25.00 C ATOM 1475 C THR A 95 15.058 7.308 -1.973 1.00 25.00 C ATOM 1476 O THR A 95 15.301 6.540 -2.905 1.00 25.00 O ATOM 1477 CB THR A 95 16.607 9.312 -1.896 1.00 25.00 C ATOM 1478 OG1 THR A 95 16.932 9.082 -0.519 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.783 10.802 -2.194 1.00 25.00 C ATOM 0 H THR A 95 14.596 10.015 -0.543 1.00 25.00 H new ATOM 0 HA THR A 95 14.919 9.049 -3.226 1.00 25.00 H new ATOM 0 HB THR A 95 17.271 8.745 -2.548 1.00 25.00 H new ATOM 0 HG1 THR A 95 17.847 9.387 -0.344 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.810 11.097 -1.978 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.564 10.991 -3.245 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.101 11.381 -1.571 1.00 25.00 H new ATOM 1487 N VAL A 96 14.690 6.885 -0.750 1.00 25.00 N ATOM 1488 CA VAL A 96 14.477 5.457 -0.450 1.00 25.00 C ATOM 1489 C VAL A 96 13.138 5.004 -1.052 1.00 25.00 C ATOM 1490 O VAL A 96 13.121 4.174 -1.952 1.00 25.00 O ATOM 1491 CB VAL A 96 14.499 5.149 1.087 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.406 3.646 1.359 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.747 5.714 1.759 1.00 25.00 C ATOM 0 H VAL A 96 14.535 7.508 0.043 1.00 25.00 H new ATOM 0 HA VAL A 96 15.303 4.904 -0.896 1.00 25.00 H new ATOM 0 HB VAL A 96 13.624 5.638 1.514 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.424 3.469 2.434 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.476 3.258 0.943 1.00 25.00 H new ATOM 0 HG13 VAL A 96 15.251 3.139 0.894 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.725 5.480 2.823 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.635 5.271 1.308 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.774 6.796 1.626 1.00 25.00 H new ATOM 1503 N MET A 97 12.032 5.611 -0.582 1.00 25.00 N ATOM 1504 CA MET A 97 10.663 5.319 -1.054 1.00 25.00 C ATOM 1505 C MET A 97 10.529 5.315 -2.590 1.00 25.00 C ATOM 1506 O MET A 97 9.714 4.568 -3.133 1.00 25.00 O ATOM 1507 CB MET A 97 9.669 6.326 -0.438 1.00 25.00 C ATOM 1508 CG MET A 97 8.285 6.307 -1.028 1.00 25.00 C ATOM 1509 SD MET A 97 7.189 7.545 -0.300 1.00 25.00 S ATOM 1510 CE MET A 97 8.090 9.063 -0.591 1.00 25.00 C ATOM 0 H MET A 97 12.063 6.326 0.144 1.00 25.00 H new ATOM 0 HA MET A 97 10.429 4.307 -0.723 1.00 25.00 H new ATOM 0 HB2 MET A 97 9.593 6.128 0.631 1.00 25.00 H new ATOM 0 HB3 MET A 97 10.079 7.330 -0.548 1.00 25.00 H new ATOM 0 HG2 MET A 97 8.352 6.476 -2.103 1.00 25.00 H new ATOM 0 HG3 MET A 97 7.850 5.317 -0.888 1.00 25.00 H new ATOM 0 HE1 MET A 97 7.447 9.915 -0.372 1.00 25.00 H new ATOM 0 HE2 MET A 97 8.968 9.095 0.055 1.00 25.00 H new ATOM 0 HE3 MET A 97 8.405 9.105 -1.634 1.00 25.00 H new ATOM 1520 N ASP A 98 11.328 6.144 -3.276 1.00 25.00 N ATOM 1521 CA ASP A 98 11.348 6.161 -4.748 1.00 25.00 C ATOM 1522 C ASP A 98 12.221 5.033 -5.317 1.00 25.00 C ATOM 1523 O ASP A 98 12.037 4.639 -6.465 1.00 25.00 O ATOM 1524 CB ASP A 98 11.848 7.524 -5.253 1.00 25.00 C ATOM 1525 CG ASP A 98 10.787 8.612 -5.179 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.596 8.270 -5.027 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.152 9.803 -5.275 1.00 25.00 O ATOM 0 H ASP A 98 11.966 6.809 -2.839 1.00 25.00 H new ATOM 0 HA ASP A 98 10.328 5.998 -5.097 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.714 7.828 -4.664 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.184 7.422 -6.285 1.00 25.00 H new ATOM 1532 N ASN A 99 13.162 4.528 -4.510 1.00 25.00 N ATOM 1533 CA ASN A 99 14.022 3.404 -4.902 1.00 25.00 C ATOM 1534 C ASN A 99 13.366 2.049 -4.589 1.00 25.00 C ATOM 1535 O ASN A 99 13.558 1.083 -5.332 1.00 25.00 O ATOM 1536 CB ASN A 99 15.389 3.513 -4.205 1.00 25.00 C ATOM 1537 CG ASN A 99 16.499 3.984 -5.134 1.00 25.00 C ATOM 1538 OD1 ASN A 99 17.012 3.223 -5.959 1.00 25.00 O ATOM 1539 ND2 ASN A 99 16.887 5.247 -4.995 1.00 25.00 N ATOM 0 H ASN A 99 13.348 4.884 -3.573 1.00 25.00 H new ATOM 0 HA ASN A 99 14.166 3.457 -5.981 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.308 4.204 -3.366 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.658 2.541 -3.792 1.00 25.00 H new ATOM 0 HD21 ASN A 99 17.634 5.619 -5.582 1.00 25.00 H new ATOM 0 HD22 ASN A 99 16.438 5.845 -4.301 1.00 25.00 H new ATOM 1546 N ILE A 100 12.587 1.985 -3.488 1.00 25.00 N ATOM 1547 CA ILE A 100 11.786 0.789 -3.160 1.00 25.00 C ATOM 1548 C ILE A 100 10.648 0.643 -4.192 1.00 25.00 C ATOM 1549 O ILE A 100 10.503 -0.412 -4.811 1.00 25.00 O ATOM 1550 CB ILE A 100 11.203 0.846 -1.693 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.318 0.917 -0.606 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.260 -0.330 -1.393 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.262 -0.278 -0.510 1.00 25.00 C ATOM 0 H ILE A 100 12.497 2.745 -2.814 1.00 25.00 H new ATOM 0 HA ILE A 100 12.440 -0.082 -3.204 1.00 25.00 H new ATOM 0 HB ILE A 100 10.627 1.770 -1.649 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.917 1.809 -0.791 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.839 1.050 0.364 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.886 -0.245 -0.373 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.422 -0.311 -2.090 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.803 -1.269 -1.504 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.989 -0.104 0.283 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.689 -1.177 -0.286 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.783 -0.407 -1.459 1.00 25.00 H new ATOM 1565 N LYS A 101 9.875 1.732 -4.382 1.00 25.00 N ATOM 1566 CA LYS A 101 8.796 1.804 -5.384 1.00 25.00 C ATOM 1567 C LYS A 101 9.302 1.475 -6.790 1.00 25.00 C ATOM 1568 O LYS A 101 8.628 0.778 -7.538 1.00 25.00 O ATOM 1569 CB LYS A 101 8.168 3.201 -5.355 1.00 25.00 C ATOM 1570 CG LYS A 101 7.002 3.379 -6.325 1.00 25.00 C ATOM 1571 CD LYS A 101 6.360 4.760 -6.204 1.00 25.00 C ATOM 1572 CE LYS A 101 5.208 4.975 -7.186 1.00 25.00 C ATOM 1573 NZ LYS A 101 4.727 6.386 -7.200 1.00 25.00 N ATOM 0 H LYS A 101 9.984 2.590 -3.841 1.00 25.00 H new ATOM 0 HA LYS A 101 8.044 1.057 -5.130 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.821 3.411 -4.343 1.00 25.00 H new ATOM 0 HB3 LYS A 101 8.936 3.938 -5.588 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.354 3.232 -7.346 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.251 2.612 -6.133 1.00 25.00 H new ATOM 0 HD2 LYS A 101 5.992 4.895 -5.187 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.120 5.523 -6.372 1.00 25.00 H new ATOM 0 HE2 LYS A 101 5.532 4.695 -8.188 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.382 4.315 -6.922 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 3.946 6.480 -7.881 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.392 6.648 -6.251 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 5.507 7.016 -7.478 1.00 25.00 H new ATOM 1587 N MET A 102 10.503 1.965 -7.122 1.00 25.00 N ATOM 1588 CA MET A 102 11.170 1.668 -8.401 1.00 25.00 C ATOM 1589 C MET A 102 11.299 0.151 -8.629 1.00 25.00 C ATOM 1590 O MET A 102 10.937 -0.341 -9.698 1.00 25.00 O ATOM 1591 CB MET A 102 12.549 2.345 -8.407 1.00 25.00 C ATOM 1592 CG MET A 102 13.383 2.133 -9.669 1.00 25.00 C ATOM 1593 SD MET A 102 15.028 2.878 -9.574 1.00 25.00 S ATOM 1594 CE MET A 102 15.854 1.785 -8.415 1.00 25.00 C ATOM 0 H MET A 102 11.042 2.580 -6.512 1.00 25.00 H new ATOM 0 HA MET A 102 10.566 2.060 -9.219 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.409 3.416 -8.262 1.00 25.00 H new ATOM 0 HB3 MET A 102 13.117 1.979 -7.552 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.486 1.063 -9.852 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.851 2.553 -10.523 1.00 25.00 H new ATOM 0 HE1 MET A 102 16.910 2.048 -8.356 1.00 25.00 H new ATOM 0 HE2 MET A 102 15.399 1.888 -7.430 1.00 25.00 H new ATOM 0 HE3 MET A 102 15.756 0.754 -8.754 1.00 25.00 H new ATOM 1604 N THR A 103 11.804 -0.576 -7.616 1.00 25.00 N ATOM 1605 CA THR A 103 11.890 -2.043 -7.676 1.00 25.00 C ATOM 1606 C THR A 103 10.483 -2.651 -7.796 1.00 25.00 C ATOM 1607 O THR A 103 10.197 -3.328 -8.778 1.00 25.00 O ATOM 1608 CB THR A 103 12.633 -2.630 -6.442 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.944 -2.058 -6.348 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.765 -4.156 -6.530 1.00 25.00 C ATOM 0 H THR A 103 12.157 -0.171 -6.749 1.00 25.00 H new ATOM 0 HA THR A 103 12.470 -2.306 -8.561 1.00 25.00 H new ATOM 0 HB THR A 103 12.044 -2.384 -5.558 1.00 25.00 H new ATOM 0 HG1 THR A 103 13.874 -1.127 -6.051 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.290 -4.527 -5.650 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.773 -4.605 -6.577 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.327 -4.422 -7.426 1.00 25.00 H new ATOM 1618 N LEU A 104 9.602 -2.339 -6.817 1.00 25.00 N ATOM 1619 CA LEU A 104 8.190 -2.773 -6.810 1.00 25.00 C ATOM 1620 C LEU A 104 7.561 -2.601 -8.197 1.00 25.00 C ATOM 1621 O LEU A 104 7.163 -3.569 -8.830 1.00 25.00 O ATOM 1622 CB LEU A 104 7.393 -1.930 -5.781 1.00 25.00 C ATOM 1623 CG LEU A 104 7.844 -2.014 -4.311 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.094 -1.004 -3.454 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.621 -3.397 -3.727 1.00 25.00 C ATOM 0 H LEU A 104 9.855 -1.775 -6.006 1.00 25.00 H new ATOM 0 HA LEU A 104 8.155 -3.828 -6.537 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.438 -0.886 -6.090 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.347 -2.232 -5.832 1.00 25.00 H new ATOM 0 HG LEU A 104 8.911 -1.793 -4.303 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.430 -1.083 -2.420 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.290 0.003 -3.823 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.024 -1.207 -3.504 1.00 25.00 H new ATOM 0 HD21 LEU A 104 7.953 -3.411 -2.689 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.560 -3.644 -3.772 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.189 -4.130 -4.300 1.00 25.00 H new ATOM 1637 N GLN A 105 7.565 -1.350 -8.671 1.00 25.00 N ATOM 1638 CA GLN A 105 7.042 -0.964 -10.002 1.00 25.00 C ATOM 1639 C GLN A 105 7.596 -1.824 -11.152 1.00 25.00 C ATOM 1640 O GLN A 105 6.916 -2.032 -12.161 1.00 25.00 O ATOM 1641 CB GLN A 105 7.376 0.510 -10.270 1.00 25.00 C ATOM 1642 CG GLN A 105 6.665 1.090 -11.483 1.00 25.00 C ATOM 1643 CD GLN A 105 5.176 1.246 -11.274 1.00 25.00 C ATOM 1644 OE1 GLN A 105 4.727 1.793 -10.267 1.00 25.00 O ATOM 1645 NE2 GLN A 105 4.402 0.724 -12.214 1.00 25.00 N ATOM 0 H GLN A 105 7.935 -0.561 -8.140 1.00 25.00 H new ATOM 0 HA GLN A 105 5.965 -1.127 -9.975 1.00 25.00 H new ATOM 0 HB2 GLN A 105 7.113 1.098 -9.391 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.452 0.609 -10.410 1.00 25.00 H new ATOM 0 HG2 GLN A 105 7.097 2.062 -11.721 1.00 25.00 H new ATOM 0 HG3 GLN A 105 6.840 0.444 -12.344 1.00 25.00 H new ATOM 0 HE21 GLN A 105 4.821 0.281 -13.031 1.00 25.00 H new ATOM 0 HE22 GLN A 105 3.387 0.766 -12.120 1.00 25.00 H new ATOM 1654 N GLN A 106 8.828 -2.311 -10.982 1.00 25.00 N ATOM 1655 CA GLN A 106 9.490 -3.162 -11.978 1.00 25.00 C ATOM 1656 C GLN A 106 9.114 -4.640 -11.782 1.00 25.00 C ATOM 1657 O GLN A 106 9.241 -5.446 -12.707 1.00 25.00 O ATOM 1658 CB GLN A 106 11.014 -2.969 -11.897 1.00 25.00 C ATOM 1659 CG GLN A 106 11.509 -1.664 -12.518 1.00 25.00 C ATOM 1660 CD GLN A 106 13.008 -1.461 -12.365 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.782 -1.755 -13.276 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.424 -0.957 -11.207 1.00 25.00 N ATOM 0 H GLN A 106 9.394 -2.128 -10.154 1.00 25.00 H new ATOM 0 HA GLN A 106 9.149 -2.866 -12.970 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.319 -3.000 -10.851 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.503 -3.805 -12.396 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.253 -1.653 -13.578 1.00 25.00 H new ATOM 0 HG3 GLN A 106 10.986 -0.827 -12.055 1.00 25.00 H new ATOM 0 HE21 GLN A 106 12.748 -0.727 -10.479 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.419 -0.800 -11.047 1.00 25.00 H new ATOM 1671 N ILE A 107 8.647 -4.974 -10.567 1.00 25.00 N ATOM 1672 CA ILE A 107 8.182 -6.326 -10.229 1.00 25.00 C ATOM 1673 C ILE A 107 6.724 -6.559 -10.698 1.00 25.00 C ATOM 1674 O ILE A 107 6.417 -7.632 -11.227 1.00 25.00 O ATOM 1675 CB ILE A 107 8.329 -6.603 -8.688 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.835 -6.627 -8.296 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.624 -7.905 -8.284 1.00 25.00 C ATOM 1678 CD1 ILE A 107 10.144 -6.692 -6.801 1.00 25.00 C ATOM 0 H ILE A 107 8.582 -4.313 -9.793 1.00 25.00 H new ATOM 0 HA ILE A 107 8.816 -7.034 -10.762 1.00 25.00 H new ATOM 0 HB ILE A 107 7.842 -5.795 -8.142 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.301 -7.486 -8.779 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.309 -5.735 -8.705 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.745 -8.067 -7.213 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.563 -7.833 -8.523 1.00 25.00 H new ATOM 0 HG23 ILE A 107 8.063 -8.741 -8.829 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.224 -6.704 -6.653 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.719 -5.820 -6.303 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.710 -7.598 -6.379 1.00 25.00 H new ATOM 1690 N ILE A 108 5.838 -5.561 -10.509 1.00 25.00 N ATOM 1691 CA ILE A 108 4.411 -5.694 -10.896 1.00 25.00 C ATOM 1692 C ILE A 108 4.253 -5.676 -12.421 1.00 25.00 C ATOM 1693 O ILE A 108 3.387 -6.358 -12.965 1.00 25.00 O ATOM 1694 CB ILE A 108 3.505 -4.583 -10.271 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.533 -4.678 -8.742 1.00 25.00 C ATOM 1696 CG2 ILE A 108 2.056 -4.722 -10.769 1.00 25.00 C ATOM 1697 CD1 ILE A 108 2.950 -3.484 -8.017 1.00 25.00 C ATOM 0 H ILE A 108 6.078 -4.660 -10.095 1.00 25.00 H new ATOM 0 HA ILE A 108 4.081 -6.655 -10.500 1.00 25.00 H new ATOM 0 HB ILE A 108 3.892 -3.612 -10.580 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.987 -5.571 -8.438 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.566 -4.811 -8.420 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.441 -3.940 -10.323 1.00 25.00 H new ATOM 0 HG22 ILE A 108 2.034 -4.626 -11.855 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.665 -5.698 -10.483 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.015 -3.645 -6.941 1.00 25.00 H new ATOM 0 HD12 ILE A 108 3.509 -2.587 -8.284 1.00 25.00 H new ATOM 0 HD13 ILE A 108 1.906 -3.359 -8.303 1.00 25.00 H new ATOM 1709 N SER A 109 5.101 -4.887 -13.088 1.00 25.00 N ATOM 1710 CA SER A 109 5.120 -4.797 -14.561 1.00 25.00 C ATOM 1711 C SER A 109 5.510 -6.142 -15.211 1.00 25.00 C ATOM 1712 O SER A 109 5.278 -6.351 -16.406 1.00 25.00 O ATOM 1713 CB SER A 109 6.078 -3.684 -15.001 1.00 25.00 C ATOM 1714 OG SER A 109 7.432 -4.035 -14.758 1.00 25.00 O ATOM 0 H SER A 109 5.792 -4.293 -12.630 1.00 25.00 H new ATOM 0 HA SER A 109 4.112 -4.557 -14.899 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.939 -3.482 -16.063 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.838 -2.764 -14.467 1.00 25.00 H new ATOM 0 HG SER A 109 7.492 -4.552 -13.928 1.00 25.00 H new ATOM 1720 N ARG A 110 6.100 -7.043 -14.406 1.00 25.00 N ATOM 1721 CA ARG A 110 6.389 -8.424 -14.832 1.00 25.00 C ATOM 1722 C ARG A 110 5.130 -9.291 -14.729 1.00 25.00 C ATOM 1723 O ARG A 110 4.848 -10.105 -15.612 1.00 25.00 O ATOM 1724 CB ARG A 110 7.504 -9.042 -13.973 1.00 25.00 C ATOM 1725 CG ARG A 110 8.880 -8.446 -14.220 1.00 25.00 C ATOM 1726 CD ARG A 110 9.900 -8.955 -13.215 1.00 25.00 C ATOM 1727 NE ARG A 110 11.243 -8.422 -13.477 1.00 25.00 N ATOM 1728 CZ ARG A 110 12.305 -8.593 -12.676 1.00 25.00 C ATOM 1729 NH1 ARG A 110 12.208 -9.270 -11.534 1.00 25.00 N ATOM 1730 NH2 ARG A 110 13.476 -8.076 -13.024 1.00 25.00 N ATOM 0 H ARG A 110 6.388 -6.837 -13.449 1.00 25.00 H new ATOM 0 HA ARG A 110 6.721 -8.389 -15.870 1.00 25.00 H new ATOM 0 HB2 ARG A 110 7.249 -8.916 -12.921 1.00 25.00 H new ATOM 0 HB3 ARG A 110 7.544 -10.114 -14.166 1.00 25.00 H new ATOM 0 HG2 ARG A 110 9.208 -8.694 -15.229 1.00 25.00 H new ATOM 0 HG3 ARG A 110 8.822 -7.359 -14.161 1.00 25.00 H new ATOM 0 HD2 ARG A 110 9.589 -8.675 -12.209 1.00 25.00 H new ATOM 0 HD3 ARG A 110 9.929 -10.044 -13.248 1.00 25.00 H new ATOM 0 HE ARG A 110 11.378 -7.882 -14.332 1.00 25.00 H new ATOM 0 HH11 ARG A 110 11.313 -9.671 -11.253 1.00 25.00 H new ATOM 0 HH12 ARG A 110 13.029 -9.388 -10.940 1.00 25.00 H new ATOM 0 HH21 ARG A 110 13.564 -7.553 -13.895 1.00 25.00 H new ATOM 0 HH22 ARG A 110 14.289 -8.202 -12.420 1.00 25.00 H new ATOM 1744 N TYR A 111 4.387 -9.093 -13.631 1.00 25.00 N ATOM 1745 CA TYR A 111 3.094 -9.764 -13.403 1.00 25.00 C ATOM 1746 C TYR A 111 1.953 -9.042 -14.134 1.00 25.00 C ATOM 1747 O TYR A 111 0.799 -9.485 -14.110 1.00 25.00 O ATOM 1748 CB TYR A 111 2.797 -9.837 -11.901 1.00 25.00 C ATOM 1749 CG TYR A 111 3.855 -10.584 -11.112 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.768 -9.899 -10.323 1.00 25.00 C ATOM 1751 CD2 TYR A 111 3.946 -11.974 -11.168 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.739 -10.572 -9.613 1.00 25.00 C ATOM 1753 CE2 TYR A 111 4.913 -12.652 -10.458 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.775 -11.955 -9.651 1.00 25.00 C ATOM 1755 OH TYR A 111 6.777 -12.620 -8.983 1.00 25.00 O ATOM 0 H TYR A 111 4.662 -8.465 -12.876 1.00 25.00 H new ATOM 0 HA TYR A 111 3.163 -10.775 -13.805 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.708 -8.825 -11.507 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.833 -10.323 -11.752 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.717 -8.822 -10.264 1.00 25.00 H new ATOM 0 HD2 TYR A 111 3.248 -12.528 -11.777 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.466 -10.024 -9.032 1.00 25.00 H new ATOM 0 HE2 TYR A 111 4.991 -13.726 -10.537 1.00 25.00 H new ATOM 0 HH TYR A 111 7.582 -12.062 -8.961 1.00 25.00 H new ATOM 1765 N LYS A 112 2.305 -7.931 -14.790 1.00 25.00 N ATOM 1766 CA LYS A 112 1.368 -7.123 -15.565 1.00 25.00 C ATOM 1767 C LYS A 112 1.310 -7.630 -17.012 1.00 25.00 C ATOM 1768 O LYS A 112 0.287 -7.495 -17.691 1.00 25.00 O ATOM 1769 CB LYS A 112 1.825 -5.662 -15.521 1.00 25.00 C ATOM 1770 CG LYS A 112 0.926 -4.689 -16.282 1.00 25.00 C ATOM 1771 CD LYS A 112 -0.514 -4.648 -15.742 1.00 25.00 C ATOM 1772 CE LYS A 112 -1.398 -3.620 -16.456 1.00 25.00 C ATOM 1773 NZ LYS A 112 -1.637 -3.979 -17.878 1.00 25.00 N ATOM 0 H LYS A 112 3.258 -7.567 -14.796 1.00 25.00 H new ATOM 0 HA LYS A 112 0.367 -7.201 -15.140 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.882 -5.344 -14.480 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.834 -5.599 -15.929 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.356 -3.689 -16.228 1.00 25.00 H new ATOM 0 HG3 LYS A 112 0.905 -4.971 -17.335 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -0.962 -5.636 -15.845 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -0.489 -4.419 -14.677 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -2.353 -3.542 -15.937 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -0.926 -2.639 -16.405 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -2.253 -3.266 -18.317 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -0.730 -4.012 -18.385 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -2.096 -4.911 -17.928 1.00 25.00 H new